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[r]" accesskey="r"><span>Siste endringer</span></a></li> </ul> </div> </div> <div id="p-prosjekt" class="vector-menu mw-portlet mw-portlet-prosjekt" > <div class="vector-menu-heading"> Prosjekt </div> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="n-Prosjektportal" class="mw-list-item"><a href="/wiki/Wikipedia:Portal"><span>Prosjektportal</span></a></li><li id="n-bidra" class="mw-list-item"><a href="/wiki/Wikipedia:Bidra_til_Wikipedia"><span>Hvordan bidra?</span></a></li><li id="n-tinget" class="mw-list-item"><a href="/wiki/Wikipedia:Tinget"><span>Tinget</span></a></li><li id="n-torget" class="mw-list-item"><a href="/wiki/Wikipedia:Torget"><span>Torget</span></a></li><li id="n-konkurranser" class="mw-list-item"><a href="/wiki/Wikipedia:Konkurranser"><span>Konkurranser</span></a></li> </ul> </div> </div> <div id="p-Wikipedia" class="vector-menu mw-portlet mw-portlet-Wikipedia" > <div class="vector-menu-heading"> Wikipedia </div> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="n-kontakt" class="mw-list-item"><a href="/wiki/Wikipedia:Kontakt"><span>Kontakt Wikipedia</span></a></li><li id="n-wmno" class="mw-list-item"><a href="https://www.wikimedia.no" rel="nofollow" title="Medlemsorganisasjon for wikipedianere"><span>Wikimedia Norge</span></a></li> </ul> </div> </div> </div> </div> </div> </div> </nav> <a href="/wiki/Forside" class="mw-logo"> <img class="mw-logo-icon" src="/static/images/icons/wikipedia.png" alt="" aria-hidden="true" height="50" width="50"> <span class="mw-logo-container skin-invert"> <img class="mw-logo-wordmark" alt="Wikipedia" src="/static/images/mobile/copyright/wikipedia-wordmark-en.svg" style="width: 7.5em; height: 1.125em;"> <img class="mw-logo-tagline" alt="" src="/static/images/mobile/copyright/wikipedia-tagline-no.svg" width="121" height="14" style="width: 7.5625em; height: 0.875em;"> </span> </a> </div> <div class="vector-header-end"> <div id="p-search" 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aria-label="Søk i Wikipedia" autocapitalize="sentences" title="Søk i Wikipedia [f]" accesskey="f" id="searchInput" > <span class="cdx-text-input__icon cdx-text-input__start-icon"></span> </div> <input type="hidden" name="title" value="Spesial:Søk"> </div> <button class="cdx-button cdx-search-input__end-button">Søk</button> </form> </div> </div> </div> <nav class="vector-user-links vector-user-links-wide" aria-label="Personlig"> <div class="vector-user-links-main"> <div id="p-vector-user-menu-preferences" class="vector-menu mw-portlet emptyPortlet" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> </ul> </div> </div> <div id="p-vector-user-menu-userpage" class="vector-menu mw-portlet emptyPortlet" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> </ul> </div> </div> <nav class="vector-appearance-landmark" aria-label="Utseende"> <div id="vector-appearance-dropdown" class="vector-dropdown " title="Endre skriftstørrelse, bredde og farge på siden." > <input type="checkbox" id="vector-appearance-dropdown-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-vector-appearance-dropdown" class="vector-dropdown-checkbox " aria-label="Utseende" > <label id="vector-appearance-dropdown-label" for="vector-appearance-dropdown-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--icon-only " aria-hidden="true" ><span class="vector-icon mw-ui-icon-appearance mw-ui-icon-wikimedia-appearance"></span> <span class="vector-dropdown-label-text">Utseende</span> </label> <div class="vector-dropdown-content"> <div id="vector-appearance-unpinned-container" class="vector-unpinned-container"> </div> </div> </div> </nav> <div id="p-vector-user-menu-notifications" class="vector-menu mw-portlet emptyPortlet" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> </ul> </div> </div> <div id="p-vector-user-menu-overflow" class="vector-menu mw-portlet" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="pt-sitesupport-2" class="user-links-collapsible-item mw-list-item user-links-collapsible-item"><a data-mw="interface" href="//donate.wikimedia.org/wiki/Special:FundraiserRedirector?utm_source=donate&utm_medium=sidebar&utm_campaign=C13_no.wikipedia.org&uselang=nb" class=""><span>Doner</span></a> </li> <li id="pt-createaccount-2" class="user-links-collapsible-item mw-list-item user-links-collapsible-item"><a data-mw="interface" href="/w/index.php?title=Spesial:Opprett_konto&returnto=SMILES" title="Du oppfordres til å opprette en konto og logge inn, men det er ikke obligatorisk" class=""><span>Opprett konto</span></a> </li> <li id="pt-login-2" class="user-links-collapsible-item mw-list-item user-links-collapsible-item"><a data-mw="interface" href="/w/index.php?title=Spesial:Logg_inn&returnto=SMILES" title="Du oppfordres til å logge inn, men det er ikke obligatorisk [o]" accesskey="o" class=""><span>Logg inn</span></a> </li> </ul> </div> </div> </div> <div id="vector-user-links-dropdown" class="vector-dropdown vector-user-menu vector-button-flush-right vector-user-menu-logged-out user-links-collapsible-item" title="Flere alternativer" > <input type="checkbox" id="vector-user-links-dropdown-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-vector-user-links-dropdown" class="vector-dropdown-checkbox " aria-label="Personlig" > <label id="vector-user-links-dropdown-label" for="vector-user-links-dropdown-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--icon-only " aria-hidden="true" ><span class="vector-icon mw-ui-icon-ellipsis mw-ui-icon-wikimedia-ellipsis"></span> <span class="vector-dropdown-label-text">Personlig</span> </label> <div class="vector-dropdown-content"> <div id="p-personal" class="vector-menu mw-portlet mw-portlet-personal user-links-collapsible-item" title="Brukermeny" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="pt-sitesupport" class="user-links-collapsible-item mw-list-item"><a href="//donate.wikimedia.org/wiki/Special:FundraiserRedirector?utm_source=donate&utm_medium=sidebar&utm_campaign=C13_no.wikipedia.org&uselang=nb"><span>Doner</span></a></li><li id="pt-createaccount" class="user-links-collapsible-item mw-list-item"><a href="/w/index.php?title=Spesial:Opprett_konto&returnto=SMILES" title="Du oppfordres til å opprette en konto og logge inn, men det er ikke obligatorisk"><span class="vector-icon mw-ui-icon-userAdd mw-ui-icon-wikimedia-userAdd"></span> <span>Opprett konto</span></a></li><li id="pt-login" class="user-links-collapsible-item mw-list-item"><a href="/w/index.php?title=Spesial:Logg_inn&returnto=SMILES" title="Du oppfordres til å logge inn, men det er ikke obligatorisk [o]" accesskey="o"><span class="vector-icon mw-ui-icon-logIn mw-ui-icon-wikimedia-logIn"></span> <span>Logg inn</span></a></li> </ul> </div> </div> </div> </div> </nav> </div> </header> </div> <div class="mw-page-container"> <div class="mw-page-container-inner"> <div class="vector-sitenotice-container"> <div id="siteNotice"></div> </div> <div class="vector-column-start"> <div class="vector-main-menu-container"> <div id="mw-navigation"> <nav id="mw-panel" class="vector-main-menu-landmark" aria-label="Nettsted"> <div id="vector-main-menu-pinned-container" class="vector-pinned-container"> </div> </nav> </div> </div> <div class="vector-sticky-pinned-container"> <nav id="mw-panel-toc" aria-label="Innhold" data-event-name="ui.sidebar-toc" class="mw-table-of-contents-container vector-toc-landmark"> <div id="vector-toc-pinned-container" class="vector-pinned-container"> <div id="vector-toc" class="vector-toc vector-pinnable-element"> <div class="vector-pinnable-header vector-toc-pinnable-header vector-pinnable-header-pinned" data-feature-name="toc-pinned" data-pinnable-element-id="vector-toc" > <h2 class="vector-pinnable-header-label">Innhold</h2> <button class="vector-pinnable-header-toggle-button vector-pinnable-header-pin-button" data-event-name="pinnable-header.vector-toc.pin">flytt til sidefeltet</button> <button class="vector-pinnable-header-toggle-button vector-pinnable-header-unpin-button" data-event-name="pinnable-header.vector-toc.unpin">skjul</button> </div> <ul class="vector-toc-contents" id="mw-panel-toc-list"> <li id="toc-mw-content-text" class="vector-toc-list-item vector-toc-level-1"> <a href="#" class="vector-toc-link"> <div class="vector-toc-text">(Til toppen)</div> </a> </li> <li id="toc-Kanonisk_SMILES_og_Isomerisk_SMILES" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Kanonisk_SMILES_og_Isomerisk_SMILES"> <div class="vector-toc-text"> <span class="vector-toc-numb">1</span> <span><i>Kanonisk SMILES</i> og <i>Isomerisk SMILES</i></span> </div> </a> <ul id="toc-Kanonisk_SMILES_og_Isomerisk_SMILES-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Grafbasert_definisjon" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Grafbasert_definisjon"> <div class="vector-toc-text"> <span class="vector-toc-numb">2</span> <span>Grafbasert definisjon</span> </div> </a> <ul id="toc-Grafbasert_definisjon-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Eksempler" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Eksempler"> <div class="vector-toc-text"> <span class="vector-toc-numb">3</span> <span>Eksempler</span> </div> </a> <button aria-controls="toc-Eksempler-sublist" class="cdx-button cdx-button--weight-quiet cdx-button--icon-only vector-toc-toggle"> <span class="vector-icon mw-ui-icon-wikimedia-expand"></span> <span>Vis/skjul underseksjonen Eksempler</span> </button> <ul id="toc-Eksempler-sublist" class="vector-toc-list"> <li id="toc-Isomerisk_SMILES" class="vector-toc-list-item vector-toc-level-2"> <a class="vector-toc-link" href="#Isomerisk_SMILES"> <div class="vector-toc-text"> <span class="vector-toc-numb">3.1</span> <span>Isomerisk SMILES</span> </div> </a> <ul id="toc-Isomerisk_SMILES-sublist" class="vector-toc-list"> </ul> </li> </ul> </li> <li id="toc-Utvidelser" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Utvidelser"> <div class="vector-toc-text"> <span class="vector-toc-numb">4</span> <span>Utvidelser</span> </div> </a> <ul id="toc-Utvidelser-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Konvertering" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Konvertering"> <div class="vector-toc-text"> <span class="vector-toc-numb">5</span> <span>Konvertering</span> </div> </a> <ul id="toc-Konvertering-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Se_også" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Se_også"> <div class="vector-toc-text"> <span class="vector-toc-numb">6</span> <span>Se også</span> </div> </a> <ul id="toc-Se_også-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Referanser" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Referanser"> <div class="vector-toc-text"> <span class="vector-toc-numb">7</span> <span>Referanser</span> </div> </a> <ul id="toc-Referanser-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Eksterne_lenker" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Eksterne_lenker"> <div class="vector-toc-text"> <span class="vector-toc-numb">8</span> <span>Eksterne lenker</span> </div> </a> <ul id="toc-Eksterne_lenker-sublist" class="vector-toc-list"> </ul> </li> </ul> </div> </div> </nav> </div> </div> <div class="mw-content-container"> <main id="content" class="mw-body"> <header class="mw-body-header vector-page-titlebar"> <nav aria-label="Innhold" class="vector-toc-landmark"> <div id="vector-page-titlebar-toc" class="vector-dropdown vector-page-titlebar-toc vector-button-flush-left" > <input type="checkbox" id="vector-page-titlebar-toc-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-vector-page-titlebar-toc" class="vector-dropdown-checkbox " aria-label="Vis/skjul innholdsfortegnelsen" > <label id="vector-page-titlebar-toc-label" for="vector-page-titlebar-toc-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--icon-only " aria-hidden="true" ><span class="vector-icon mw-ui-icon-listBullet mw-ui-icon-wikimedia-listBullet"></span> <span class="vector-dropdown-label-text">Vis/skjul innholdsfortegnelsen</span> </label> <div class="vector-dropdown-content"> <div id="vector-page-titlebar-toc-unpinned-container" class="vector-unpinned-container"> </div> </div> </div> </nav> <h1 id="firstHeading" class="firstHeading mw-first-heading"><span class="mw-page-title-main">SMILES</span></h1> <div id="p-lang-btn" class="vector-dropdown mw-portlet mw-portlet-lang" > <input type="checkbox" id="p-lang-btn-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-p-lang-btn" class="vector-dropdown-checkbox mw-interlanguage-selector" aria-label="Gå til en artikkel på et annet språk. Tilgjengelig på 42 språk" > <label id="p-lang-btn-label" for="p-lang-btn-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--action-progressive mw-portlet-lang-heading-42" aria-hidden="true" ><span class="vector-icon mw-ui-icon-language-progressive mw-ui-icon-wikimedia-language-progressive"></span> <span class="vector-dropdown-label-text">42 språk</span> </label> <div class="vector-dropdown-content"> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li class="interlanguage-link interwiki-da mw-list-item"><a href="https://da.wikipedia.org/wiki/SMILES" title="SMILES – dansk" lang="da" hreflang="da" data-title="SMILES" data-language-autonym="Dansk" data-language-local-name="dansk" class="interlanguage-link-target"><span>Dansk</span></a></li><li class="interlanguage-link interwiki-sv mw-list-item"><a href="https://sv.wikipedia.org/wiki/Simplified_Molecular_Input_Line_Entry_Specification" title="Simplified Molecular Input Line Entry Specification – svensk" lang="sv" hreflang="sv" data-title="Simplified Molecular Input Line Entry Specification" data-language-autonym="Svenska" data-language-local-name="svensk" class="interlanguage-link-target"><span>Svenska</span></a></li><li class="interlanguage-link interwiki-ar mw-list-item"><a href="https://ar.wikipedia.org/wiki/%D9%85%D8%AD%D8%AF%D8%AF%D8%A7%D8%AA_%D8%A7%D9%84%D8%A5%D8%AF%D8%AE%D8%A7%D9%84_%D8%A7%D9%84%D8%AE%D8%B7%D9%8A_%D8%A7%D9%84%D9%86%D8%B5%D9%8A_%D8%A7%D9%84%D8%AC%D8%B2%D9%8A%D8%A6%D9%8A_%D8%A7%D9%84%D9%85%D8%A8%D8%B3%D8%B7" title="محددات الإدخال الخطي النصي الجزيئي المبسط – arabisk" lang="ar" hreflang="ar" data-title="محددات الإدخال الخطي النصي الجزيئي المبسط" data-language-autonym="العربية" data-language-local-name="arabisk" class="interlanguage-link-target"><span>العربية</span></a></li><li class="interlanguage-link interwiki-az mw-list-item"><a href="https://az.wikipedia.org/wiki/SMILES" title="SMILES – aserbajdsjansk" lang="az" hreflang="az" data-title="SMILES" data-language-autonym="Azərbaycanca" data-language-local-name="aserbajdsjansk" class="interlanguage-link-target"><span>Azərbaycanca</span></a></li><li class="interlanguage-link interwiki-bg mw-list-item"><a href="https://bg.wikipedia.org/wiki/SMILES" title="SMILES – bulgarsk" lang="bg" hreflang="bg" data-title="SMILES" data-language-autonym="Български" data-language-local-name="bulgarsk" class="interlanguage-link-target"><span>Български</span></a></li><li class="interlanguage-link interwiki-bs mw-list-item"><a href="https://bs.wikipedia.org/wiki/SMILES" title="SMILES – bosnisk" lang="bs" hreflang="bs" data-title="SMILES" data-language-autonym="Bosanski" data-language-local-name="bosnisk" class="interlanguage-link-target"><span>Bosanski</span></a></li><li class="interlanguage-link interwiki-ca mw-list-item"><a href="https://ca.wikipedia.org/wiki/SMILES" title="SMILES – katalansk" lang="ca" hreflang="ca" data-title="SMILES" data-language-autonym="Català" data-language-local-name="katalansk" class="interlanguage-link-target"><span>Català</span></a></li><li class="interlanguage-link interwiki-cs mw-list-item"><a href="https://cs.wikipedia.org/wiki/SMILES" title="SMILES – tsjekkisk" lang="cs" hreflang="cs" data-title="SMILES" data-language-autonym="Čeština" data-language-local-name="tsjekkisk" class="interlanguage-link-target"><span>Čeština</span></a></li><li class="interlanguage-link interwiki-de mw-list-item"><a href="https://de.wikipedia.org/wiki/Simplified_Molecular_Input_Line_Entry_System" title="Simplified Molecular Input Line Entry System – tysk" lang="de" hreflang="de" data-title="Simplified Molecular Input Line Entry System" data-language-autonym="Deutsch" data-language-local-name="tysk" class="interlanguage-link-target"><span>Deutsch</span></a></li><li class="interlanguage-link interwiki-el mw-list-item"><a href="https://el.wikipedia.org/wiki/SMILES" title="SMILES – gresk" lang="el" hreflang="el" data-title="SMILES" data-language-autonym="Ελληνικά" data-language-local-name="gresk" class="interlanguage-link-target"><span>Ελληνικά</span></a></li><li class="interlanguage-link interwiki-en mw-list-item"><a href="https://en.wikipedia.org/wiki/Simplified_Molecular_Input_Line_Entry_System" title="Simplified Molecular Input Line Entry System – engelsk" lang="en" hreflang="en" data-title="Simplified Molecular Input Line Entry System" data-language-autonym="English" data-language-local-name="engelsk" class="interlanguage-link-target"><span>English</span></a></li><li class="interlanguage-link interwiki-es mw-list-item"><a href="https://es.wikipedia.org/wiki/SMILES" title="SMILES – spansk" lang="es" hreflang="es" data-title="SMILES" data-language-autonym="Español" data-language-local-name="spansk" class="interlanguage-link-target"><span>Español</span></a></li><li class="interlanguage-link interwiki-eo mw-list-item"><a href="https://eo.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" title="Simplified molecular-input line-entry system – esperanto" lang="eo" hreflang="eo" data-title="Simplified molecular-input line-entry system" data-language-autonym="Esperanto" data-language-local-name="esperanto" class="interlanguage-link-target"><span>Esperanto</span></a></li><li class="interlanguage-link interwiki-fa mw-list-item"><a href="https://fa.wikipedia.org/wiki/%D8%A7%D8%B3%D9%85%D8%A7%DB%8C%D9%84%D8%B2" title="اسمایلز – persisk" lang="fa" hreflang="fa" data-title="اسمایلز" data-language-autonym="فارسی" data-language-local-name="persisk" class="interlanguage-link-target"><span>فارسی</span></a></li><li class="interlanguage-link interwiki-fr mw-list-item"><a href="https://fr.wikipedia.org/wiki/Simplified_Molecular_Input_Line_Entry_System" title="Simplified Molecular Input Line Entry System – fransk" lang="fr" hreflang="fr" data-title="Simplified Molecular Input Line Entry System" data-language-autonym="Français" data-language-local-name="fransk" class="interlanguage-link-target"><span>Français</span></a></li><li class="interlanguage-link interwiki-gl mw-list-item"><a href="https://gl.wikipedia.org/wiki/SMILES" title="SMILES – galisisk" lang="gl" hreflang="gl" data-title="SMILES" data-language-autonym="Galego" data-language-local-name="galisisk" class="interlanguage-link-target"><span>Galego</span></a></li><li class="interlanguage-link interwiki-ko mw-list-item"><a href="https://ko.wikipedia.org/wiki/%EB%8B%A8%EC%88%9C%ED%99%94%EB%90%9C_%EB%B6%84%EC%9E%90%EC%9E%85%EB%A0%A5_%EB%9D%BC%EC%9D%B8%EC%9E%85%EB%A0%A5_%EC%8B%9C%EC%8A%A4%ED%85%9C" title="단순화된 분자입력 라인입력 시스템 – koreansk" lang="ko" hreflang="ko" data-title="단순화된 분자입력 라인입력 시스템" data-language-autonym="한국어" data-language-local-name="koreansk" class="interlanguage-link-target"><span>한국어</span></a></li><li class="interlanguage-link interwiki-id mw-list-item"><a href="https://id.wikipedia.org/wiki/SMILES" title="SMILES – indonesisk" lang="id" hreflang="id" data-title="SMILES" data-language-autonym="Bahasa Indonesia" data-language-local-name="indonesisk" class="interlanguage-link-target"><span>Bahasa Indonesia</span></a></li><li class="interlanguage-link interwiki-it mw-list-item"><a href="https://it.wikipedia.org/wiki/SMILES" title="SMILES – italiensk" lang="it" hreflang="it" data-title="SMILES" data-language-autonym="Italiano" data-language-local-name="italiensk" class="interlanguage-link-target"><span>Italiano</span></a></li><li class="interlanguage-link interwiki-he mw-list-item"><a href="https://he.wikipedia.org/wiki/%D7%A1%D7%9E%D7%99%D7%99%D7%9C%D7%A1" title="סמיילס – hebraisk" lang="he" hreflang="he" data-title="סמיילס" data-language-autonym="עברית" data-language-local-name="hebraisk" class="interlanguage-link-target"><span>עברית</span></a></li><li class="interlanguage-link interwiki-lt mw-list-item"><a href="https://lt.wikipedia.org/wiki/SMILES" title="SMILES – litauisk" lang="lt" hreflang="lt" data-title="SMILES" data-language-autonym="Lietuvių" data-language-local-name="litauisk" class="interlanguage-link-target"><span>Lietuvių</span></a></li><li class="interlanguage-link interwiki-hu mw-list-item"><a href="https://hu.wikipedia.org/wiki/SMILES" title="SMILES – ungarsk" lang="hu" hreflang="hu" data-title="SMILES" data-language-autonym="Magyar" data-language-local-name="ungarsk" class="interlanguage-link-target"><span>Magyar</span></a></li><li class="interlanguage-link interwiki-mk mw-list-item"><a href="https://mk.wikipedia.org/wiki/%D0%A3%D0%BF%D1%80%D0%BE%D1%81%D1%82%D0%B5%D0%BD_%D1%81%D0%B8%D1%81%D1%82%D0%B5%D0%BC_%D0%B7%D0%B0_%D0%B7%D0%B0%D0%B2%D0%B5%D0%B4%D1%83%D0%B2%D0%B0%D1%9A%D0%B5_%D0%B2%D0%BE_%D1%80%D0%B5%D0%B4%D0%BE%D0%B2%D0%B8_%D1%81%D0%BE_%D0%BC%D0%BE%D0%BB%D0%B5%D0%BA%D1%83%D0%BB%D0%B0%D1%80%D0%B5%D0%BD_%D0%B2%D0%BD%D0%BE%D1%81" title="Упростен систем за заведување во редови со молекуларен внос – makedonsk" lang="mk" hreflang="mk" data-title="Упростен систем за заведување во редови со молекуларен внос" data-language-autonym="Македонски" data-language-local-name="makedonsk" class="interlanguage-link-target"><span>Македонски</span></a></li><li class="interlanguage-link interwiki-ml mw-list-item"><a href="https://ml.wikipedia.org/wiki/%E0%B4%B8%E0%B4%BF%E0%B4%AE%E0%B5%8D%E0%B4%AA%E0%B5%8D%E0%B4%B2%E0%B4%BF%E0%B4%AB%E0%B5%88%E0%B4%A1%E0%B5%8D_%E0%B4%AE%E0%B5%8B%E0%B4%B3%E0%B4%BF%E0%B4%95%E0%B5%8D%E0%B4%AF%E0%B5%82%E0%B4%B2%E0%B4%BE%E0%B5%BC-%E0%B4%87%E0%B5%BB%E0%B4%AA%E0%B5%81%E0%B4%9F%E0%B5%8D_%E0%B4%B2%E0%B5%88%E0%B5%BB%E2%80%8C-%E0%B4%8E%E0%B5%BB%E0%B4%9F%E0%B5%8D%E0%B4%B0%E0%B4%BF_%E0%B4%B8%E0%B4%BF%E0%B4%B8%E0%B5%8D%E0%B4%B1%E0%B5%8D%E0%B4%B1%E0%B4%82" title="സിമ്പ്ലിഫൈഡ് മോളിക്യൂലാർ-ഇൻപുട് ലൈൻ‌-എൻട്രി സിസ്റ്റം – malayalam" lang="ml" hreflang="ml" data-title="സിമ്പ്ലിഫൈഡ് മോളിക്യൂലാർ-ഇൻപുട് ലൈൻ‌-എൻട്രി സിസ്റ്റം" data-language-autonym="മലയാളം" data-language-local-name="malayalam" class="interlanguage-link-target"><span>മലയാളം</span></a></li><li class="interlanguage-link interwiki-ms mw-list-item"><a href="https://ms.wikipedia.org/wiki/SMILES" title="SMILES – malayisk" lang="ms" hreflang="ms" data-title="SMILES" data-language-autonym="Bahasa Melayu" data-language-local-name="malayisk" class="interlanguage-link-target"><span>Bahasa Melayu</span></a></li><li class="interlanguage-link interwiki-nl mw-list-item"><a href="https://nl.wikipedia.org/wiki/SMILES" title="SMILES – nederlandsk" lang="nl" hreflang="nl" data-title="SMILES" data-language-autonym="Nederlands" data-language-local-name="nederlandsk" class="interlanguage-link-target"><span>Nederlands</span></a></li><li class="interlanguage-link interwiki-ja mw-list-item"><a href="https://ja.wikipedia.org/wiki/SMILES%E8%A8%98%E6%B3%95" title="SMILES記法 – japansk" lang="ja" hreflang="ja" data-title="SMILES記法" data-language-autonym="日本語" data-language-local-name="japansk" class="interlanguage-link-target"><span>日本語</span></a></li><li class="interlanguage-link interwiki-pl mw-list-item"><a href="https://pl.wikipedia.org/wiki/SMILES" title="SMILES – polsk" lang="pl" hreflang="pl" data-title="SMILES" data-language-autonym="Polski" data-language-local-name="polsk" class="interlanguage-link-target"><span>Polski</span></a></li><li class="interlanguage-link interwiki-pt mw-list-item"><a href="https://pt.wikipedia.org/wiki/SMILES" title="SMILES – portugisisk" lang="pt" hreflang="pt" data-title="SMILES" data-language-autonym="Português" data-language-local-name="portugisisk" class="interlanguage-link-target"><span>Português</span></a></li><li class="interlanguage-link interwiki-ro mw-list-item"><a href="https://ro.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" title="Simplified molecular-input line-entry system – rumensk" lang="ro" hreflang="ro" data-title="Simplified molecular-input line-entry system" data-language-autonym="Română" data-language-local-name="rumensk" class="interlanguage-link-target"><span>Română</span></a></li><li class="interlanguage-link interwiki-ru mw-list-item"><a href="https://ru.wikipedia.org/wiki/SMILES" title="SMILES – russisk" lang="ru" hreflang="ru" data-title="SMILES" data-language-autonym="Русский" data-language-local-name="russisk" class="interlanguage-link-target"><span>Русский</span></a></li><li class="interlanguage-link interwiki-simple mw-list-item"><a href="https://simple.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification" title="Simplified molecular input line entry specification – enkel engelsk" lang="en-simple" hreflang="en-simple" data-title="Simplified molecular input line entry specification" data-language-autonym="Simple English" data-language-local-name="enkel engelsk" class="interlanguage-link-target"><span>Simple English</span></a></li><li class="interlanguage-link interwiki-sd mw-list-item"><a href="https://sd.wikipedia.org/wiki/%D8%A7%D8%B3%D9%85%D8%A7%D8%A6%D9%84%D8%B3" title="اسمائلس – sindhi" lang="sd" hreflang="sd" data-title="اسمائلس" data-language-autonym="سنڌي" data-language-local-name="sindhi" class="interlanguage-link-target"><span>سنڌي</span></a></li><li class="interlanguage-link interwiki-sl mw-list-item"><a href="https://sl.wikipedia.org/wiki/SMILES" title="SMILES – slovensk" lang="sl" hreflang="sl" data-title="SMILES" data-language-autonym="Slovenščina" data-language-local-name="slovensk" class="interlanguage-link-target"><span>Slovenščina</span></a></li><li class="interlanguage-link interwiki-sr mw-list-item"><a href="https://sr.wikipedia.org/wiki/SMILES" title="SMILES – serbisk" lang="sr" hreflang="sr" data-title="SMILES" data-language-autonym="Српски / srpski" data-language-local-name="serbisk" class="interlanguage-link-target"><span>Српски / srpski</span></a></li><li class="interlanguage-link interwiki-sh mw-list-item"><a href="https://sh.wikipedia.org/wiki/SMILES" title="SMILES – serbokroatisk" lang="sh" hreflang="sh" data-title="SMILES" data-language-autonym="Srpskohrvatski / српскохрватски" data-language-local-name="serbokroatisk" class="interlanguage-link-target"><span>Srpskohrvatski / српскохрватски</span></a></li><li class="interlanguage-link interwiki-fi mw-list-item"><a href="https://fi.wikipedia.org/wiki/SMILES" title="SMILES – finsk" lang="fi" hreflang="fi" data-title="SMILES" data-language-autonym="Suomi" data-language-local-name="finsk" class="interlanguage-link-target"><span>Suomi</span></a></li><li class="interlanguage-link interwiki-ta mw-list-item"><a href="https://ta.wikipedia.org/wiki/%E0%AE%8E%E0%AE%B3%E0%AE%BF%E0%AE%AE%E0%AF%88%E0%AE%AA%E0%AF%8D%E0%AE%AA%E0%AE%9F%E0%AF%81%E0%AE%A4%E0%AF%8D%E0%AE%A4%E0%AE%AA%E0%AF%8D%E0%AE%AA%E0%AE%9F%E0%AF%8D%E0%AE%9F_%E0%AE%AE%E0%AF%82%E0%AE%B2%E0%AE%95%E0%AF%8D%E0%AE%95%E0%AF%82%E0%AE%B1%E0%AF%81-%E0%AE%89%E0%AE%B3%E0%AF%8D%E0%AE%B3%E0%AF%80%E0%AE%9F%E0%AF%81_%E0%AE%B5%E0%AE%B0%E0%AE%BF-%E0%AE%A8%E0%AF%81%E0%AE%B4%E0%AF%88%E0%AE%B5%E0%AF%81_%E0%AE%85%E0%AE%AE%E0%AF%88%E0%AE%AA%E0%AF%8D%E0%AE%AA%E0%AF%81" title="எளிமைப்படுத்தப்பட்ட மூலக்கூறு-உள்ளீடு வரி-நுழைவு அமைப்பு – tamil" lang="ta" hreflang="ta" data-title="எளிமைப்படுத்தப்பட்ட மூலக்கூறு-உள்ளீடு வரி-நுழைவு அமைப்பு" data-language-autonym="தமிழ்" data-language-local-name="tamil" class="interlanguage-link-target"><span>தமிழ்</span></a></li><li class="interlanguage-link interwiki-tr mw-list-item"><a href="https://tr.wikipedia.org/wiki/SMILES" title="SMILES – tyrkisk" lang="tr" hreflang="tr" data-title="SMILES" data-language-autonym="Türkçe" data-language-local-name="tyrkisk" class="interlanguage-link-target"><span>Türkçe</span></a></li><li class="interlanguage-link interwiki-uk mw-list-item"><a href="https://uk.wikipedia.org/wiki/SMILES" title="SMILES – ukrainsk" lang="uk" hreflang="uk" data-title="SMILES" data-language-autonym="Українська" data-language-local-name="ukrainsk" class="interlanguage-link-target"><span>Українська</span></a></li><li class="interlanguage-link interwiki-ur mw-list-item"><a href="https://ur.wikipedia.org/wiki/%D8%A7%D8%B3%D9%85%D8%A7%D8%A6%D9%84%D8%B3" title="اسمائلس – urdu" lang="ur" hreflang="ur" data-title="اسمائلس" data-language-autonym="اردو" data-language-local-name="urdu" class="interlanguage-link-target"><span>اردو</span></a></li><li class="interlanguage-link interwiki-zh mw-list-item"><a href="https://zh.wikipedia.org/wiki/%E7%AE%80%E5%8C%96%E5%88%86%E5%AD%90%E7%BA%BF%E6%80%A7%E8%BE%93%E5%85%A5%E8%A7%84%E8%8C%83" title="简化分子线性输入规范 – kinesisk" lang="zh" hreflang="zh" data-title="简化分子线性输入规范" data-language-autonym="中文" data-language-local-name="kinesisk" class="interlanguage-link-target"><span>中文</span></a></li> </ul> <div class="after-portlet after-portlet-lang"><span class="wb-langlinks-edit wb-langlinks-link"><a href="https://www.wikidata.org/wiki/Special:EntityPage/Q466769#sitelinks-wikipedia" title="Rediger lenker til artikkelen på andre språk" class="wbc-editpage">Rediger lenker</a></span></div> </div> </div> </div> </header> <div class="vector-page-toolbar"> <div class="vector-page-toolbar-container"> <div id="left-navigation"> <nav aria-label="Navnerom"> <div id="p-associated-pages" class="vector-menu vector-menu-tabs mw-portlet mw-portlet-associated-pages" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="ca-nstab-main" class="selected vector-tab-noicon mw-list-item"><a href="/wiki/SMILES" title="Vis innholdssiden [c]" accesskey="c"><span>Artikkel</span></a></li><li id="ca-talk" class="vector-tab-noicon mw-list-item"><a href="/wiki/Diskusjon:SMILES" rel="discussion" title="Diskusjon om innholdssiden [t]" accesskey="t"><span>Diskusjon</span></a></li> </ul> </div> </div> <div id="vector-variants-dropdown" class="vector-dropdown emptyPortlet" > <input type="checkbox" id="vector-variants-dropdown-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-vector-variants-dropdown" class="vector-dropdown-checkbox " aria-label="Bytt språkvariant" > <label id="vector-variants-dropdown-label" for="vector-variants-dropdown-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet" aria-hidden="true" ><span class="vector-dropdown-label-text">norsk bokmål</span> </label> <div class="vector-dropdown-content"> <div id="p-variants" class="vector-menu mw-portlet mw-portlet-variants emptyPortlet" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> </ul> </div> </div> </div> </div> </nav> </div> <div id="right-navigation" class="vector-collapsible"> <nav aria-label="Visninger"> <div id="p-views" class="vector-menu vector-menu-tabs mw-portlet mw-portlet-views" > <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="ca-view" class="selected vector-tab-noicon mw-list-item"><a href="/wiki/SMILES"><span>Les</span></a></li><li id="ca-ve-edit" class="vector-tab-noicon mw-list-item"><a href="/w/index.php?title=SMILES&veaction=edit" title="Rediger siden [v]" accesskey="v"><span>Rediger</span></a></li><li id="ca-edit" class="collapsible vector-tab-noicon mw-list-item"><a href="/w/index.php?title=SMILES&action=edit" title="Rediger kildekoden for denne siden [e]" accesskey="e"><span>Rediger kilde</span></a></li><li id="ca-history" class="vector-tab-noicon mw-list-item"><a href="/w/index.php?title=SMILES&action=history" title="Tidligere sideversjoner av denne siden [h]" accesskey="h"><span>Vis historikk</span></a></li> </ul> </div> </div> </nav> <nav 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class="vector-more-collapsible-item mw-list-item"><a href="/w/index.php?title=SMILES&veaction=edit" title="Rediger siden [v]" accesskey="v"><span>Rediger</span></a></li><li id="ca-more-edit" class="collapsible vector-more-collapsible-item mw-list-item"><a href="/w/index.php?title=SMILES&action=edit" title="Rediger kildekoden for denne siden [e]" accesskey="e"><span>Rediger kilde</span></a></li><li id="ca-more-history" class="vector-more-collapsible-item mw-list-item"><a href="/w/index.php?title=SMILES&action=history"><span>Vis historikk</span></a></li> </ul> </div> </div> <div id="p-tb" class="vector-menu mw-portlet mw-portlet-tb" > <div class="vector-menu-heading"> Generelt </div> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="t-whatlinkshere" class="mw-list-item"><a href="/wiki/Spesial:Lenker_hit/SMILES" title="Liste over alle wikisider som lenker hit [j]" accesskey="j"><span>Lenker hit</span></a></li><li id="t-recentchangeslinked" class="mw-list-item"><a href="/wiki/Spesial:Relaterte_endringer/SMILES" rel="nofollow" title="Siste endringer i sider som blir lenket fra denne siden [k]" accesskey="k"><span>Relaterte endringer</span></a></li><li id="t-upload" class="mw-list-item"><a href="//commons.wikimedia.org/wiki/Special:UploadWizard?uselang=no" title="Last opp filer [u]" accesskey="u"><span>Last opp fil</span></a></li><li id="t-specialpages" class="mw-list-item"><a href="/wiki/Spesial:Spesialsider" title="Liste over alle spesialsider [q]" accesskey="q"><span>Spesialsider</span></a></li><li id="t-permalink" class="mw-list-item"><a href="/w/index.php?title=SMILES&oldid=24696629" title="Permanent lenke til denne versjonen av siden"><span>Permanent lenke</span></a></li><li id="t-info" class="mw-list-item"><a href="/w/index.php?title=SMILES&action=info" title="Mer informasjon om denne siden"><span>Sideinformasjon</span></a></li><li id="t-cite" class="mw-list-item"><a href="/w/index.php?title=Spesial:Siteringshjelp&page=SMILES&id=24696629&wpFormIdentifier=titleform" title="Informasjon om hvordan denne siden kan siteres"><span>Siter denne siden</span></a></li><li id="t-urlshortener" class="mw-list-item"><a href="/w/index.php?title=Spesial:UrlShortener&url=https%3A%2F%2Fno.wikipedia.org%2Fwiki%2FSMILES"><span>Hent forkortet URL</span></a></li><li id="t-urlshortener-qrcode" class="mw-list-item"><a href="/w/index.php?title=Spesial:QrCode&url=https%3A%2F%2Fno.wikipedia.org%2Fwiki%2FSMILES"><span>Last ned QR-kode</span></a></li> </ul> </div> </div> <div id="p-coll-print_export" class="vector-menu mw-portlet mw-portlet-coll-print_export" > <div class="vector-menu-heading"> Skriv ut / eksporter </div> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li id="coll-download-as-rl" class="mw-list-item"><a href="/w/index.php?title=Spesial:DownloadAsPdf&page=SMILES&action=show-download-screen"><span>Last ned som PDF</span></a></li><li id="t-print" class="mw-list-item"><a href="/w/index.php?title=SMILES&printable=yes" title="Utskriftsvennlig versjon av denne siden [p]" accesskey="p"><span>Utskriftsvennlig versjon</span></a></li> </ul> </div> </div> <div id="p-wikibase-otherprojects" class="vector-menu mw-portlet mw-portlet-wikibase-otherprojects" > <div class="vector-menu-heading"> På andre prosjekter </div> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li class="wb-otherproject-link wb-otherproject-commons mw-list-item"><a href="https://commons.wikimedia.org/wiki/Category:Simplified_molecular-input_line-entry_system" hreflang="en"><span>Wikimedia Commons</span></a></li><li id="t-wikibase" class="wb-otherproject-link wb-otherproject-wikibase-dataitem mw-list-item"><a href="https://www.wikidata.org/wiki/Special:EntityPage/Q466769" title="Lenke til koblet dataregisterelement [g]" accesskey="g"><span>Wikidata-element</span></a></li> </ul> </div> </div> </div> </div> </div> </div> </nav> </div> </div> </div> <div class="vector-column-end"> <div class="vector-sticky-pinned-container"> <nav class="vector-page-tools-landmark" aria-label="Sideverktøy"> <div id="vector-page-tools-pinned-container" class="vector-pinned-container"> </div> </nav> <nav class="vector-appearance-landmark" aria-label="Utseende"> <div id="vector-appearance-pinned-container" class="vector-pinned-container"> <div id="vector-appearance" class="vector-appearance vector-pinnable-element"> <div class="vector-pinnable-header vector-appearance-pinnable-header vector-pinnable-header-pinned" data-feature-name="appearance-pinned" data-pinnable-element-id="vector-appearance" data-pinned-container-id="vector-appearance-pinned-container" data-unpinned-container-id="vector-appearance-unpinned-container" > <div class="vector-pinnable-header-label">Utseende</div> <button class="vector-pinnable-header-toggle-button vector-pinnable-header-pin-button" data-event-name="pinnable-header.vector-appearance.pin">flytt til sidefeltet</button> <button class="vector-pinnable-header-toggle-button vector-pinnable-header-unpin-button" data-event-name="pinnable-header.vector-appearance.unpin">skjul</button> </div> </div> </div> </nav> </div> </div> <div id="bodyContent" class="vector-body" aria-labelledby="firstHeading" data-mw-ve-target-container> <div class="vector-body-before-content"> <div class="mw-indicators"> </div> <div id="siteSub" class="noprint">Fra Wikipedia, den frie encyklopedi</div> </div> <div id="contentSub"><div id="mw-content-subtitle"></div></div> <div id="mw-content-text" class="mw-body-content"><div class="mw-content-ltr mw-parser-output" lang="nb" dir="ltr"><p><b>SMILES</b> (<b>S</b>implified <b>M</b>olecular <b>I</b>nput <b>L</b>ine <b>E</b>ntry <b>S</b>pecification) kan på norsk oversettes med <i>forenklet strukturkode for molekyler</i> og er et system som muliggjør entydig beskrivelse av <a href="/wiki/Kjemi" title="Kjemi">kjemiske</a> <a href="/wiki/Molekyl" title="Molekyl">molekylers</a> struktur ved hjelp av korte <a href="/wiki/ASCII" title="ASCII">ASCII</a>-<a href="/wiki/Streng_(informatikk)" title="Streng (informatikk)">strenger</a>. SMILES-strenger kan importeres av de fleste <a href="/w/index.php?title=Molekyl-editor&action=edit&redlink=1" class="new" title="Molekyl-editor (ikke skrevet ennå)">molekyl-editorer</a> for konversjon tilbake til <a href="/wiki/To-dimensjonal" class="mw-redirect" title="To-dimensjonal">to-dimensjonale</a> tegninger eller <a href="/wiki/Dimensjon" title="Dimensjon">tre-dimensjonale</a> modeller av molekylet. </p><p>Den opprinnelige SMILES-spesifikasjonen ble utviklet av <a href="/w/index.php?title=Arthur_Weininger&action=edit&redlink=1" class="new" title="Arthur Weininger (ikke skrevet ennå)">Arthur Weininger</a> og <a href="/w/index.php?title=David_Weininger&action=edit&redlink=1" class="new" title="David Weininger (ikke skrevet ennå)">David Weininger</a> på slutten av <a href="/wiki/1980-tallet" class="mw-redirect" title="1980-tallet">1980-tallet</a>. Den har siden blitt modifisert og utvidet av andre, særlig av <a href="/w/index.php?title=Daylight_Chemical_Information_Systems_Inc.&action=edit&redlink=1" class="new" title="Daylight Chemical Information Systems Inc. (ikke skrevet ennå)">Daylight Chemical Information Systems Inc.</a> Andre <i>lineære</i> notasjonssystemer inkluderer <a href="/w/index.php?title=Wiswesser_Line_Notation&action=edit&redlink=1" class="new" title="Wiswesser Line Notation (ikke skrevet ennå)">Wiswesser Line Notation</a> (WLN), <a href="/w/index.php?title=ROSDAL&action=edit&redlink=1" class="new" title="ROSDAL (ikke skrevet ennå)">ROSDAL</a> og <a href="/w/index.php?title=SLN&action=edit&redlink=1" class="new" title="SLN (ikke skrevet ennå)">SLN</a> (Tripos Inc). Nylig har <a href="/wiki/IUPAC" class="mw-redirect" title="IUPAC">IUPAC</a> introdusert <a href="/w/index.php?title=International_Chemical_Identifier&action=edit&redlink=1" class="new" title="International Chemical Identifier (ikke skrevet ennå)">InChI</a> (International Chemical Identifier) som en standard for å presentere formler. SMILES regnes generelt som å ha den fordelen at det er noe lettere å lese for mennesker enn InChI, og det har også et rikt utvalg av programvarestøtte med omfattende teoretisk (f.eks. <a href="/wiki/Grafteori" title="Grafteori">grafteori</a>) støtte. </p> <meta property="mw:PageProp/toc" /> <div class="mw-heading mw-heading2"><h2 id="Kanonisk_SMILES_og_Isomerisk_SMILES"><i>Kanonisk SMILES</i> og <i>Isomerisk SMILES</i></h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=1" title="Rediger avsnitt: Kanonisk SMILES og Isomerisk SMILES" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=1" title="Rediger kildekoden til seksjonen Kanonisk SMILES og Isomerisk SMILES"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>Termen <b>kanonisk SMILES</b> viser til den versjonen av SMILES-spesifikasjon som inkluderer regler for å sikre at hvert distinkt kjemisk molekyl har en eneste, unik SMILES-representasjon. En vanlig anvendelse av kanonisk SMILES er indeksering og sikring av unikhet for molekyler i en <a href="/w/index.php?title=Kjemisk_database&action=edit&redlink=1" class="new" title="Kjemisk database (ikke skrevet ennå)">database</a>. </p><p>Termen <b>isomerisk SMILES</b> viser til den versjonen av SMILES-spesifikasjon som inkluderer tillegg til støtte for spesifisering av <a href="/wiki/Isotop" title="Isotop">isotoper</a>, <a href="/wiki/Chiralitet" class="mw-redirect" title="Chiralitet">chiralitet</a> og konfigurasjonen av dobbeltbindinger. En viktig egenskap ved disse reglene er at de muliggjør rigorøs partiell spesifisering av chiralitet. </p> <div class="mw-heading mw-heading2"><h2 id="Grafbasert_definisjon">Grafbasert definisjon</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=2" title="Rediger avsnitt: Grafbasert definisjon" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=2" title="Rediger kildekoden til seksjonen Grafbasert definisjon"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>I forhold til en grafbasert beregningsprosedyre er SMILES en streng som fremkommer ved å skrive ut symbolnodene man støter på i <a href="/wiki/Dybde-f%C3%B8rst-s%C3%B8k" title="Dybde-først-søk">dybde-først-søk</a> <a href="/w/index.php?title=Trevandring_(algoritme)&action=edit&redlink=1" class="new" title="Trevandring (algoritme) (ikke skrevet ennå)">trevandring</a> gjennom en kjemisk graf. Den kjemiske grafen blir først trimmet for å fjerne hydrogenatomer og sykluser brytes opp for å gjøre grafen om til et <a href="/w/index.php?title=Omspennende_tre&action=edit&redlink=1" class="new" title="Omspennende tre (ikke skrevet ennå)">omspennende tre</a>. Der sykluser har blitt brutt blir numeriske suffiksmerkelapper inkludert for å angi de tilkoplete nodene. Parenteser blir brukt for å angi punkter hvor treet forgrener seg. </p> <div class="mw-heading mw-heading2"><h2 id="Eksempler">Eksempler</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=3" title="Rediger avsnitt: Eksempler" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=3" title="Rediger kildekoden til seksjonen Eksempler"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <p><a href="/wiki/Atom" title="Atom">Atomer</a> blir representert med standardforkortelsen for <a href="/wiki/Grunnstoff" title="Grunnstoff">grunnstoffene</a>, i klammer, slik som [Au] for <a href="/wiki/Gull" title="Gull">gull</a>. <a href="/wiki/Hydroksid" title="Hydroksid">Hydroksid</a>-<a href="/wiki/Anion" title="Anion">anionet</a> er [OH-]. Klammer kan utelates for den «organiske undergruppen» til B, C, N, O, P, S, F, Cl, Br og I. Alle andre grunnstoffer må omsluttes med klammer. Dersom klammene utelates vil det korrekte antall implisitte hydrogenatomer antas; for eksempel vil SMILES for <a href="/wiki/Vann" title="Vann">vann</a> være kun O og for <a href="/wiki/Etanol" title="Etanol">etanol</a> CCO. </p><p><a href="/wiki/Kjemisk_binding" title="Kjemisk binding">Dobbeltbindingen</a> i <a href="/wiki/Karbondioksid" title="Karbondioksid">karbondioksid</a> representeres som O=C=O og trippelbindingen i <a href="/wiki/Hydrogencyanid" title="Hydrogencyanid">hydrogencyanid</a> som C#N. </p><p>Grener beskrives med parenteser, som i CCC(=O)O for <a href="/wiki/Propionsyre" class="mw-redirect" title="Propionsyre">propionsyre</a> og C(F)(F)F for <a href="/w/index.php?title=Fluoroform&action=edit&redlink=1" class="new" title="Fluoroform (ikke skrevet ennå)">fluoroform</a>, som og kunne beskrives av den ikke-kanoniske formelen FC(F)F. </p><p><a href="/wiki/Sykloheksan" title="Sykloheksan">Sykloheksan</a> representeres som C1CCCCC1, der ideen bak de to ettallene er at de indikerer den samme posisjonen i molekylet, slik at det her dannes en ring med seks karbonatomer. Bemerk også at merkelappen er sifferet (i dette tilfellet 1) og ikke kombinasjonen ‘C1’. </p><p><a href="/wiki/Aromatisitet" title="Aromatisitet">Aromatiske</a> C-, O-, S- og N-atomer vises med minuskler, altså ‘c’, ‘o’, ‘s’ og ‘n’. Bindinger i en aromatisk syklus blir sjelden markert eksplisitt unntatt i SMARTS søkemønstre. <a href="/wiki/Benzen" title="Benzen">Benzen</a> er derfor c1ccccc1. </p> <div class="mw-heading mw-heading3"><h3 id="Isomerisk_SMILES">Isomerisk SMILES</h3><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=4" title="Rediger avsnitt: Isomerisk SMILES" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=4" title="Rediger kildekoden til seksjonen Isomerisk SMILES"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <figure class="mw-halign-right" typeof="mw:File/Thumb"><a href="/wiki/Fil:Cis-1,2-difluoroethylene.svg" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/commons/thumb/3/38/Cis-1%2C2-difluoroethylene.svg/120px-Cis-1%2C2-difluoroethylene.svg.png" decoding="async" width="120" height="120" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/3/38/Cis-1%2C2-difluoroethylene.svg/180px-Cis-1%2C2-difluoroethylene.svg.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/3/38/Cis-1%2C2-difluoroethylene.svg/240px-Cis-1%2C2-difluoroethylene.svg.png 2x" data-file-width="180" data-file-height="180" /></a><figcaption>Representasjon av cis-difluoroeten</figcaption></figure> <p>Konfigurering rundt dobbeltbindinger blir angitt ved bruk av tegnene «/» og «\». For eksempel er F/C=C/F en representasjon av <a href="/wiki/Cis-trans-isomeri" title="Cis-trans-isomeri">trans</a>-<a href="/w/index.php?title=Difluoroeten&action=edit&redlink=1" class="new" title="Difluoroeten (ikke skrevet ennå)">difluoroeten</a>, hvor F-ene er på hver sin side av dobbeltbindingen, mens F/C=C\F er en representasjon av cis-difluoroeten, hvor F-ene er på samme side av dobbeltbindingen, slik figuren viser. </p> <div class="mw-heading mw-heading2"><h2 id="Utvidelser">Utvidelser</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=5" title="Rediger avsnitt: Utvidelser" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=5" title="Rediger kildekoden til seksjonen Utvidelser"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <p><b>SMARTS</b> er en modifikasjon av SMILES som i tillegg til SMILES-elementene muliggjør spesifiseringen av <a href="/wiki/Jokertegn" title="Jokertegn">joker</a>-atomer og -bindinger. Dette brukes til å spesifisere søkestrukturer og blir i stor utstrekning brukt i søkeapplikasjoner for <a href="/w/index.php?title=Kjemisk_database&action=edit&redlink=1" class="new" title="Kjemisk database (ikke skrevet ennå)">kjemiske databaser</a>. Denne praksisen har ført til en utbredt misforståelse om at søk på kjemiske substrukturer ved utregninger skjer ved å matche SMILES/SMARTS-strenger mens de isteden skjer gjennom de utregningsmessig mer krevende søk etter <a href="/w/index.php?title=Subgraf&action=edit&redlink=1" class="new" title="Subgraf (ikke skrevet ennå)">subgraf</a> <a href="/wiki/Isomorfisme" title="Isomorfisme">isomorfisme</a> i grafene som rekonstrueres utfra SMILES-representasjoner. </p> <div class="mw-heading mw-heading2"><h2 id="Konvertering">Konvertering</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=6" title="Rediger avsnitt: Konvertering" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=6" title="Rediger kildekoden til seksjonen Konvertering"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>SMILES kan konvertes tilbake til to-dimensjonale representasjoner ved å bruke <i>Struktur Diagram-Generering</i>-algoritmer.<sup id="cite_ref-1" class="reference"><a href="#cite_note-1"><span class="cite-bracket">[</span>1<span class="cite-bracket">]</span></a></sup> Denne konversjonen er ikke alltid entydig. Konversjon til tre-dimensjonal representasjon oppnås gjennom energiminimiserende innfallsmetoder. </p> <div class="mw-heading mw-heading2"><h2 id="Se_også"><span id="Se_ogs.C3.A5"></span>Se også</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=7" title="Rediger avsnitt: Se også" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=7" title="Rediger kildekoden til seksjonen Se også"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><a href="/w/index.php?title=Chemistry_Development_Kit&action=edit&redlink=1" class="new" title="Chemistry Development Kit (ikke skrevet ennå)">Chemistry Development Kit</a> (2D layout og konvertering)</li> <li><a href="/w/index.php?title=International_Chemical_Identifier&action=edit&redlink=1" class="new" title="International Chemical Identifier (ikke skrevet ennå)">International Chemical Identifier</a> (InChI), det frie og åpne alternativet til SMILES av <a href="/wiki/IUPAC" class="mw-redirect" title="IUPAC">IUPAC</a>.</li> <li><a href="/w/index.php?title=OpenBabel&action=edit&redlink=1" class="new" title="OpenBabel (ikke skrevet ennå)">OpenBabel</a>, <a href="/w/index.php?title=JOELib&action=edit&redlink=1" class="new" title="JOELib (ikke skrevet ennå)">JOELib</a>, <a href="/w/index.php?title=OELib&action=edit&redlink=1" class="new" title="OELib (ikke skrevet ennå)">OELib</a> (konvertering)</li></ul> <div class="mw-heading mw-heading2"><h2 id="Referanser">Referanser</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=8" title="Rediger avsnitt: Referanser" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=8" title="Rediger kildekoden til seksjonen Referanser"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <div class="mw-references-wrap"><ol class="references"> <li id="cite_note-1"><b><a href="#cite_ref-1">^</a></b> <span class="reference-text"><cite class="citation journal">Helson, Harold E. (1999). «Structure Diagram Generation». <i>Reviews in Computational Chemistry</i>. 13: 313-98.</cite><span title="ctx_ver=Z39.88-2004&rfr_id=info%3Asid%2Fno.wikipedia.org%3ASMILES&rft.atitle=Structure+Diagram+Generation&rft.au=Helson%2C+Harold+E.&rft.date=1999&rft.genre=article&rft.jtitle=Reviews+in+Computational+Chemistry&rft.pages=313-98&rft.volume=13&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal" class="Z3988"><span style="display:none;"> </span></span> <i>Red. Lipkowitz, K.B, Boyd, D.B., Wiley-VCH Press</i></span> </li> </ol></div> <div class="mw-heading mw-heading2"><h2 id="Eksterne_lenker">Eksterne lenker</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=SMILES&veaction=edit&section=9" title="Rediger avsnitt: Eksterne lenker" class="mw-editsection-visualeditor"><span>rediger</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=SMILES&action=edit&section=9" title="Rediger kildekoden til seksjonen Eksterne lenker"><span>rediger kilde</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><a rel="nofollow" class="external text" href="http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html">«SMILES – Et forenklet språk»</a></li> <li><a rel="nofollow" class="external text" href="http://www.daylight.com/dayhtml_tutorials/languages/smiles/index.html">Daylight SMILES tutorial</a></li> <li>Webbaserte applikasjoner som kan utføre konvertering av SMILES-strenger til 2D strukturbilder <ul><li><a rel="nofollow" class="external text" href="https://web.archive.org/web/20011202023429/http://www.daylight.com/daycgi/depict">Daylight Depict</a></li> <li><a rel="nofollow" class="external text" href="https://web.archive.org/web/20041015134803/http://cactus.nci.nih.gov/services/gifcreator/">CACTVS ved NCI</a> GIF/<a href="/wiki/Portable_Network_Graphics" title="Portable Network Graphics">PNG</a>-konverter med flere kontroller</li> <li><a rel="nofollow" class="external text" href="http://pubchem.ncbi.nlm.nih.gov/edit/index.html">PubChem nettbasert molekyleditor</a> som støtter SMILES/SMARTS, <a href="/w/index.php?title=International_Chemical_Identifier&action=edit&redlink=1" class="new" title="International Chemical Identifier (ikke skrevet ennå)">InChI</a> og alle vanlige kjemiske filformater</li></ul></li> <li><a rel="nofollow" class="external text" href="http://www.molinspiration.com/jme/index.html">JME molekyleditor</a> <a rel="nofollow" class="external text" href="https://web.archive.org/web/20010428093846/http://www.molinspiration.com/jme/index.html">Arkivert</a> 28. april 2001 hos <a href="/wiki/Wayback_Machine" title="Wayback Machine">Wayback Machine</a>.-applet som kan skape SMILES</li> <li><a rel="nofollow" class="external text" href="http://www.dalkescientific.com/writings/diary/archive/2004/01/05/tokens.html">Parsing av SMILES</a></li> <li><a rel="nofollow" class="external text" href="http://www.acdlabs.com/download/chemsk.html">ACD/ChemSketch</a> freeware</li> <li><a rel="nofollow" class="external text" href="http://jmol.sourceforge.net">Jmol</a> molekyl-viewer for SMILES</li> <li><a rel="nofollow" class="external text" href="https://www.chemaxon.com/">ChemAxon</a> SMILES-kompatibel Javabasert molekyleditor og 2D/3D-viewer (Marvin), database og fullstendig kjeminformatikk verktøysett (JChem) med API, gratis for opplæring, akademisk forskning og for fritt tilgjengelig nettsteder</li> <li><a rel="nofollow" class="external text" href="http://www.hungry.com/~alves/smormoed/">Smormo-Ed</a> Molekyleditor for Linux som kan lese og skrive SMILES</li> <li><a rel="nofollow" class="external text" href="http://www.vcclab.org/lab/babel">E-BABEL</a> <a rel="nofollow" class="external text" href="https://web.archive.org/web/20110215215744/http://www.vcclab.org/lab/babel">Arkivert</a> 15. februar 2011 hos <a href="/wiki/Wayback_Machine" title="Wayback Machine">Wayback Machine</a>. Interaktiv konvertering av molekyler på nettet ved bruk av <a href="/w/index.php?title=OpenBabel&action=edit&redlink=1" class="new" title="OpenBabel (ikke skrevet ennå)">OpenBabel</a></li></ul> <div class="ve-conditional-display-block">Autoritetsdata</div>    </div><noscript><img src="https://login.wikimedia.org/wiki/Special:CentralAutoLogin/start?type=1x1&useformat=desktop" alt="" width="1" height="1" style="border: none; position: absolute;"></noscript> <div class="printfooter" data-nosnippet="">Hentet fra «<a dir="ltr" href="https://no.wikipedia.org/w/index.php?title=SMILES&oldid=24696629">https://no.wikipedia.org/w/index.php?title=SMILES&oldid=24696629</a>»</div></div> <div id="catlinks" class="catlinks" data-mw="interface"><div id="mw-normal-catlinks" class="mw-normal-catlinks"><a href="/wiki/Kategori:Kategorier" title="Kategori:Kategorier">Kategori</a>: <ul><li><a href="/wiki/Kategori:Kjemisk_systematikk" title="Kategori:Kjemisk systematikk">Kjemisk systematikk</a></li></ul></div><div id="mw-hidden-catlinks" class="mw-hidden-catlinks mw-hidden-cats-hidden">Skjult kategori: <ul><li><a href="/wiki/Kategori:Artikler_uten_autoritetsdatalenker_fra_Wikidata" title="Kategori:Artikler uten autoritetsdatalenker fra Wikidata">Artikler uten autoritetsdatalenker fra Wikidata</a></li></ul></div></div> </div> </main> </div> <div class="mw-footer-container"> <footer id="footer" class="mw-footer" > <ul id="footer-info"> <li id="footer-info-lastmod"> Denne siden ble sist redigert 24. sep. 2024 kl. 16:28.</li> <li id="footer-info-copyright">Innholdet er tilgjengelig under <a rel="nofollow" class="external text" href="https://creativecommons.org/licenses/by-sa/4.0/deed.no">Creative Commons-lisensen Navngivelse-DelPåSammeVilkår</a>, men ytterligere betingelser kan gjelde. 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