Search | arXiv e-print repository

<!DOCTYPE html> <html lang="en"> <head> <meta charset="utf-8"/> <meta name="viewport" content="width=device-width, initial-scale=1"/>  <link rel="apple-touch-icon" sizes="180x180" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/apple-touch-icon.png"> <link rel="icon" type="image/png" sizes="32x32" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/favicon-32x32.png"> <link rel="icon" type="image/png" sizes="16x16" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/favicon-16x16.png"> <link rel="manifest" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/site.webmanifest"> <link rel="mask-icon" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/safari-pinned-tab.svg" color="#b31b1b"> <link rel="shortcut icon" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/favicon.ico"> <meta name="msapplication-TileColor" content="#b31b1b"> <meta name="msapplication-config" content="images/icons/browserconfig.xml"> <meta name="theme-color" content="#b31b1b">  <title>Search | arXiv e-print repository</title> <script defer src="https://static.arxiv.org/static/base/1.0.0a5/fontawesome-free-5.11.2-web/js/all.js"></script> <link rel="stylesheet" href="https://static.arxiv.org/static/base/1.0.0a5/css/arxivstyle.css" /> <script type="text/x-mathjax-config"> MathJax.Hub.Config({ messageStyle: "none", extensions: ["tex2jax.js"], jax: ["input/TeX", "output/HTML-CSS"], tex2jax: { inlineMath: [ ['$','$'], ["\$","\$"] ], displayMath: [ ['$$','$$'], ["\\[","\\]"] ], processEscapes: true, ignoreClass: '.*', processClass: 'mathjax.*' }, TeX: { extensions: ["AMSmath.js", "AMSsymbols.js", "noErrors.js"], noErrors: { inlineDelimiters: ["$","$"], multiLine: false, style: { "font-size": "normal", "border": "" } } }, "HTML-CSS": { availableFonts: ["TeX"] } }); </script> <script src='//static.arxiv.org/MathJax-2.7.3/MathJax.js'></script> <script src="https://static.arxiv.org/static/base/1.0.0a5/js/notification.js"></script> <link rel="stylesheet" href="https://static.arxiv.org/static/search/0.5.6/css/bulma-tooltip.min.css" /> <link rel="stylesheet" href="https://static.arxiv.org/static/search/0.5.6/css/search.css" /> <script src="https://code.jquery.com/jquery-3.2.1.slim.min.js" integrity="sha256-k2WSCIexGzOj3Euiig+TlR8gA0EmPjuc79OEeY5L45g=" crossorigin="anonymous"></script> <script src="https://static.arxiv.org/static/search/0.5.6/js/fieldset.js"></script> <style> radio#cf-customfield_11400 { display: none; } </style> </head> <body> <header><a href="#main-container" class="is-sr-only">Skip to main content</a>  <div class="attribution level is-marginless" role="banner"> <div class="level-left"> <a class="level-item" href="https://cornell.edu/"><img src="https://static.arxiv.org/static/base/1.0.0a5/images/cornell-reduced-white-SMALL.svg" alt="Cornell University" width="200" aria-label="logo" /></a> </div> <div class="level-right is-marginless"><p class="sponsors level-item is-marginless"><span id="support-ack-url">We gratefully acknowledge support from<br /> the Simons Foundation, <a href="https://info.arxiv.org/about/ourmembers.html">member institutions</a>, and all contributors. <a href="https://info.arxiv.org/about/donate.html">Donate</a></span></p></div> </div>  <div class="identity level is-marginless"> <div class="level-left"> <div class="level-item"> <a class="arxiv" href="https://arxiv.org/" aria-label="arxiv-logo"> <img src="https://static.arxiv.org/static/base/1.0.0a5/images/arxiv-logo-one-color-white.svg" aria-label="logo" alt="arxiv logo" width="85" style="width:85px;"/> </a> </div> </div> <div class="search-block level-right"> <form class="level-item mini-search" method="GET" action="https://arxiv.org/search"> <div class="field has-addons"> <div class="control"> <input class="input is-small" type="text" name="query" placeholder="Search..." aria-label="Search term or terms" /> <p class="help"><a href="https://info.arxiv.org/help">Help</a> | <a href="https://arxiv.org/search/advanced">Advanced Search</a></p> </div> <div class="control"> <div class="select is-small"> <select name="searchtype" aria-label="Field to search"> <option value="all" selected="selected">All fields</option> <option value="title">Title</option> <option value="author">Author</option> <option value="abstract">Abstract</option> <option value="comments">Comments</option> <option value="journal_ref">Journal reference</option> <option value="acm_class">ACM classification</option> <option value="msc_class">MSC classification</option> <option value="report_num">Report number</option> <option value="paper_id">arXiv identifier</option> <option value="doi">DOI</option> <option value="orcid">ORCID</option> <option value="author_id">arXiv author ID</option> <option value="help">Help pages</option> <option value="full_text">Full text</option> </select> </div> </div> <input type="hidden" name="source" value="header"> <button class="button is-small is-cul-darker">Search</button> </div> </form> </div> </div>  <div class="container"> <div class="user-tools is-size-7 has-text-right has-text-weight-bold" role="navigation" aria-label="User menu"> <a href="https://arxiv.org/login">Login</a> </div> </div> </header> <main class="container" id="main-container"> <div class="level is-marginless"> <div class="level-left"> <h1 class="title is-clearfix"> Showing 1–1 of 1 results for author: <span class="mathjax">Dreiman, G H S</span> </h1> </div> <div class="level-right is-hidden-mobile">  <span class="help" style="display: inline-block;"><a href="https://github.com/arXiv/arxiv-search/releases">Search v0.5.6 released 2020-02-24</a>  </span> </div> </div> <div class="content"> <form method="GET" action="/search/cs" aria-role="search"> Searching in archive <strong>cs</strong>. <a href="/search/?searchtype=author&query=Dreiman%2C+G+H+S">Search in all archives.</a> <div class="field has-addons-tablet"> <div class="control is-expanded"> <label for="query" class="hidden-label">Search term or terms</label> <input class="input is-medium" id="query" name="query" placeholder="Search term..." type="text" value="Dreiman, G H S"> </div> <div class="select control is-medium"> <label class="is-hidden" for="searchtype">Field</label> <select class="is-medium" id="searchtype" name="searchtype"><option value="all">All fields</option><option value="title">Title</option><option selected value="author">Author(s)</option><option value="abstract">Abstract</option><option value="comments">Comments</option><option value="journal_ref">Journal reference</option><option value="acm_class">ACM classification</option><option value="msc_class">MSC classification</option><option value="report_num">Report number</option><option value="paper_id">arXiv identifier</option><option value="doi">DOI</option><option value="orcid">ORCID</option><option value="license">License (URI)</option><option value="author_id">arXiv author ID</option><option value="help">Help pages</option><option value="full_text">Full text</option></select> </div> <div class="control"> <button class="button is-link is-medium">Search</button> </div> </div> <div class="field"> <div class="control is-size-7"> <label class="radio"> <input checked id="abstracts-0" name="abstracts" type="radio" value="show"> Show abstracts </label> <label class="radio"> <input id="abstracts-1" name="abstracts" type="radio" value="hide"> Hide abstracts </label> </div> </div> <div class="is-clearfix" style="height: 2.5em"> <div class="is-pulled-right"> <a href="/search/advanced?terms-0-term=Dreiman%2C+G+H+S&terms-0-field=author&size=50&order=-announced_date_first">Advanced Search</a> </div> </div> <input type="hidden" name="order" value="-announced_date_first"> <input type="hidden" name="size" value="50"> </form> <div class="level breathe-horizontal"> <div class="level-left"> <form method="GET" action="/search/"> <div style="display: none;"> <select id="searchtype" name="searchtype"><option value="all">All fields</option><option value="title">Title</option><option selected value="author">Author(s)</option><option value="abstract">Abstract</option><option value="comments">Comments</option><option value="journal_ref">Journal reference</option><option value="acm_class">ACM classification</option><option value="msc_class">MSC classification</option><option value="report_num">Report number</option><option value="paper_id">arXiv identifier</option><option value="doi">DOI</option><option value="orcid">ORCID</option><option value="license">License (URI)</option><option value="author_id">arXiv author ID</option><option value="help">Help pages</option><option value="full_text">Full text</option></select> <input id="query" name="query" type="text" value="Dreiman, G H S"> <ul id="abstracts"><li><input checked id="abstracts-0" name="abstracts" type="radio" value="show"> <label for="abstracts-0">Show abstracts</label></li><li><input id="abstracts-1" name="abstracts" type="radio" value="hide"> <label for="abstracts-1">Hide abstracts</label></li></ul> </div> <div class="box field is-grouped is-grouped-multiline level-item"> <div class="control"> <span class="select is-small"> <select id="size" name="size"><option value="25">25</option><option selected value="50">50</option><option value="100">100</option><option value="200">200</option></select> </span> <label for="size">results per page</label>. </div> <div class="control"> <label for="order">Sort results by</label> <span class="select is-small"> <select id="order" name="order"><option selected value="-announced_date_first">Announcement date (newest first)</option><option value="announced_date_first">Announcement date (oldest first)</option><option value="-submitted_date">Submission date (newest first)</option><option value="submitted_date">Submission date (oldest first)</option><option value="">Relevance</option></select> </span> </div> <div class="control"> <button class="button is-small is-link">Go</button> </div> </div> </form> </div> </div> <ol class="breathe-horizontal" start="1"> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2410.08938">arXiv:2410.08938</a> <span> [<a href="https://arxiv.org/pdf/2410.08938">pdf</a>, <a href="https://arxiv.org/format/2410.08938">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Quantitative Methods">q-bio.QM</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Machine Learning">cs.LG</span> </div> </div> <p class="title is-5 mathjax"> KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cs?searchtype=author&query=Chen%2C+B">Benson Chen</a>, <a href="/search/cs?searchtype=author&query=Danel%2C+T">Tomasz Danel</a>, <a href="/search/cs?searchtype=author&query=McEnaney%2C+P+J">Patrick J. McEnaney</a>, <a href="/search/cs?searchtype=author&query=Jain%2C+N">Nikhil Jain</a>, <a href="/search/cs?searchtype=author&query=Novikov%2C+K">Kirill Novikov</a>, <a href="/search/cs?searchtype=author&query=Akki%2C+S+U">Spurti Umesh Akki</a>, <a href="/search/cs?searchtype=author&query=Turnbull%2C+J+L">Joshua L. Turnbull</a>, <a href="/search/cs?searchtype=author&query=Pandya%2C+V+A">Virja Atul Pandya</a>, <a href="/search/cs?searchtype=author&query=Belotserkovskii%2C+B+P">Boris P. Belotserkovskii</a>, <a href="/search/cs?searchtype=author&query=Weaver%2C+J+B">Jared Bryce Weaver</a>, <a href="/search/cs?searchtype=author&query=Biswas%2C+A">Ankita Biswas</a>, <a href="/search/cs?searchtype=author&query=Nguyen%2C+D">Dat Nguyen</a>, <a href="/search/cs?searchtype=author&query=Dreiman%2C+G+H+S">Gabriel H. S. Dreiman</a>, <a href="/search/cs?searchtype=author&query=Sultan%2C+M">Mohammad Sultan</a>, <a href="/search/cs?searchtype=author&query=Stanley%2C+N">Nathaniel Stanley</a>, <a href="/search/cs?searchtype=author&query=Whalen%2C+D+M">Daniel M Whalen</a>, <a href="/search/cs?searchtype=author&query=Kanichar%2C+D">Divya Kanichar</a>, <a href="/search/cs?searchtype=author&query=Klein%2C+C">Christoph Klein</a>, <a href="/search/cs?searchtype=author&query=Fox%2C+E">Emily Fox</a>, <a href="/search/cs?searchtype=author&query=Watts%2C+R+E">R. Edward Watts</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2410.08938v1-abstract-short" style="display: inline;"> DNA-Encoded Libraries (DEL) are combinatorial small molecule libraries that offer an efficient way to characterize diverse chemical spaces. Selection experiments using DELs are pivotal to drug discovery efforts, enabling high-throughput screens for hit finding. However, limited availability of public DEL datasets hinders the advancement of computational techniques designed to process such data. To… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2410.08938v1-abstract-full').style.display = 'inline'; document.getElementById('2410.08938v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2410.08938v1-abstract-full" style="display: none;"> DNA-Encoded Libraries (DEL) are combinatorial small molecule libraries that offer an efficient way to characterize diverse chemical spaces. Selection experiments using DELs are pivotal to drug discovery efforts, enabling high-throughput screens for hit finding. However, limited availability of public DEL datasets hinders the advancement of computational techniques designed to process such data. To bridge this gap, we present KinDEL, one of the first large, publicly available DEL datasets on two kinases: Mitogen-Activated Protein Kinase 14 (MAPK14) and Discoidin Domain Receptor Tyrosine Kinase 1 (DDR1). Interest in this data modality is growing due to its ability to generate extensive supervised chemical data that densely samples around select molecular structures. Demonstrating one such application of the data, we benchmark different machine learning techniques to develop predictive models for hit identification; in particular, we highlight recent structure-based probabilistic approaches. Finally, we provide biophysical assay data, both on- and off-DNA, to validate our models on a smaller subset of molecules. Data and code for our benchmarks can be found at: https://github.com/insitro/kindel. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2410.08938v1-abstract-full').style.display = 'none'; document.getElementById('2410.08938v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 11 October, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> October 2024. </p> </li> </ol> <div class="is-hidden-tablet">  <span class="help" style="display: inline-block;"><a href="https://github.com/arXiv/arxiv-search/releases">Search v0.5.6 released 2020-02-24</a>  </span> </div> </div> </main> <footer> <div class="columns is-desktop" role="navigation" aria-label="Secondary">  <div class="column"> <div class="columns"> <div class="column"> <ul class="nav-spaced"> <li><a href="https://info.arxiv.org/about">About</a></li> <li><a href="https://info.arxiv.org/help">Help</a></li> </ul> </div> <div class="column"> <ul class="nav-spaced"> <li> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><title>contact arXiv</title><desc>Click here to contact arXiv</desc><path d="M502.3 190.8c3.9-3.1 9.7-.2 9.7 4.7V400c0 26.5-21.5 48-48 48H48c-26.5 0-48-21.5-48-48V195.6c0-5 5.7-7.8 9.7-4.7 22.4 17.4 52.1 39.5 154.1 113.6 21.1 15.4 56.7 47.8 92.2 47.6 35.7.3 72-32.8 92.3-47.6 102-74.1 131.6-96.3 154-113.7zM256 320c23.2.4 56.6-29.2 73.4-41.4 132.7-96.3 142.8-104.7 173.4-128.7 5.8-4.5 9.2-11.5 9.2-18.9v-19c0-26.5-21.5-48-48-48H48C21.5 64 0 85.5 0 112v19c0 7.4 3.4 14.3 9.2 18.9 30.6 23.9 40.7 32.4 173.4 128.7 16.8 12.2 50.2 41.8 73.4 41.4z"/></svg> <a href="https://info.arxiv.org/help/contact.html"> Contact</a> </li> <li> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><title>subscribe to arXiv mailings</title><desc>Click here to subscribe</desc><path d="M476 3.2L12.5 270.6c-18.1 10.4-15.8 35.6 2.2 43.2L121 358.4l287.3-253.2c5.5-4.9 13.3 2.6 8.6 8.3L176 407v80.5c0 23.6 28.5 32.9 42.5 15.8L282 426l124.6 52.2c14.2 6 30.4-2.9 33-18.2l72-432C515 7.8 493.3-6.8 476 3.2z"/></svg> <a href="https://info.arxiv.org/help/subscribe"> Subscribe</a> </li> </ul> </div> </div> </div>   <div class="column"> <div class="columns"> <div class="column"> <ul class="nav-spaced"> <li><a href="https://info.arxiv.org/help/license/index.html">Copyright</a></li> <li><a href="https://info.arxiv.org/help/policies/privacy_policy.html">Privacy Policy</a></li> </ul> </div> <div class="column sorry-app-links"> <ul class="nav-spaced"> <li><a href="https://info.arxiv.org/help/web_accessibility.html">Web Accessibility Assistance</a></li> <li> <p class="help"> <a class="a11y-main-link" href="https://status.arxiv.org" target="_blank">arXiv Operational Status <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 256 512" class="icon filter-dark_grey" role="presentation"><path d="M224.3 273l-136 136c-9.4 9.4-24.6 9.4-33.9 0l-22.6-22.6c-9.4-9.4-9.4-24.6 0-33.9l96.4-96.4-96.4-96.4c-9.4-9.4-9.4-24.6 0-33.9L54.3 103c9.4-9.4 24.6-9.4 33.9 0l136 136c9.5 9.4 9.5 24.6.1 34z"/></svg></a><br> Get status notifications via <a class="is-link" href="https://subscribe.sorryapp.com/24846f03/email/new" target="_blank"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><path d="M502.3 190.8c3.9-3.1 9.7-.2 9.7 4.7V400c0 26.5-21.5 48-48 48H48c-26.5 0-48-21.5-48-48V195.6c0-5 5.7-7.8 9.7-4.7 22.4 17.4 52.1 39.5 154.1 113.6 21.1 15.4 56.7 47.8 92.2 47.6 35.7.3 72-32.8 92.3-47.6 102-74.1 131.6-96.3 154-113.7zM256 320c23.2.4 56.6-29.2 73.4-41.4 132.7-96.3 142.8-104.7 173.4-128.7 5.8-4.5 9.2-11.5 9.2-18.9v-19c0-26.5-21.5-48-48-48H48C21.5 64 0 85.5 0 112v19c0 7.4 3.4 14.3 9.2 18.9 30.6 23.9 40.7 32.4 173.4 128.7 16.8 12.2 50.2 41.8 73.4 41.4z"/></svg>email</a> or <a class="is-link" href="https://subscribe.sorryapp.com/24846f03/slack/new" target="_blank"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" class="icon filter-black" role="presentation"><path d="M94.12 315.1c0 25.9-21.16 47.06-47.06 47.06S0 341 0 315.1c0-25.9 21.16-47.06 47.06-47.06h47.06v47.06zm23.72 0c0-25.9 21.16-47.06 47.06-47.06s47.06 21.16 47.06 47.06v117.84c0 25.9-21.16 47.06-47.06 47.06s-47.06-21.16-47.06-47.06V315.1zm47.06-188.98c-25.9 0-47.06-21.16-47.06-47.06S139 32 164.9 32s47.06 21.16 47.06 47.06v47.06H164.9zm0 23.72c25.9 0 47.06 21.16 47.06 47.06s-21.16 47.06-47.06 47.06H47.06C21.16 243.96 0 222.8 0 196.9s21.16-47.06 47.06-47.06H164.9zm188.98 47.06c0-25.9 21.16-47.06 47.06-47.06 25.9 0 47.06 21.16 47.06 47.06s-21.16 47.06-47.06 47.06h-47.06V196.9zm-23.72 0c0 25.9-21.16 47.06-47.06 47.06-25.9 0-47.06-21.16-47.06-47.06V79.06c0-25.9 21.16-47.06 47.06-47.06 25.9 0 47.06 21.16 47.06 47.06V196.9zM283.1 385.88c25.9 0 47.06 21.16 47.06 47.06 0 25.9-21.16 47.06-47.06 47.06-25.9 0-47.06-21.16-47.06-47.06v-47.06h47.06zm0-23.72c-25.9 0-47.06-21.16-47.06-47.06 0-25.9 21.16-47.06 47.06-47.06h117.84c25.9 0 47.06 21.16 47.06 47.06 0 25.9-21.16 47.06-47.06 47.06H283.1z"/></svg>slack</a> </p> </li> </ul> </div> </div> </div>  </div> </footer> <script src="https://static.arxiv.org/static/base/1.0.0a5/js/member_acknowledgement.js"></script> </body> </html>

CINXE.COM

Search | arXiv e-print repository