Calculators & Predictors

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dnd-row"> <div class="row-fluid "> <div class="span3 widget-span widget-type-cell dnd-column" style="" data-widget-type="cell" data-x="0" data-w="3"> <div class="row-fluid-wrapper row-depth-1 row-number-4 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1661133530490" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner "> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Summary</p> <div class="flow "><h2>Virtual property predictions for tangible advancements</h2> <p>Our industry leading solution for property predictions offers a wide range of quick chemical calculations for multiple endpoints, combining outstanding accuracy, great availability, consistency and integration options. From easy-to-use plugins to fully customizable command line tools, the Calculators & Predictors are available via all main Chemaxon products. Extensive API and training options provide further possibilities for integration and customization.</p></div> </div> <div class=" TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2019.png?width=1893&height=1537&name=Spot%20Image%2019.png" alt="Spot Image 19" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2019.png?width=947&height=769&name=Spot%20Image%2019.png 947w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2019.png?width=1893&height=1537&name=Spot%20Image%2019.png 1893w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2019.png?width=2840&height=2306&name=Spot%20Image%2019.png 2840w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2019.png?width=3786&height=3074&name=Spot%20Image%2019.png 3786w, 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src="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=1893&height=1537&name=Try%20for%20free.png" alt="Try for free" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=947&height=769&name=Try%20for%20free.png 947w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=1893&height=1537&name=Try%20for%20free.png 1893w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=2840&height=2306&name=Try%20for%20free.png 2840w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=3786&height=3074&name=Try%20for%20free.png 3786w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=4733&height=3843&name=Try%20for%20free.png 4733w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Try%20for%20free.png?width=5679&height=4611&name=Try%20for%20free.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> <div 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https://chemaxon.com/hs-fs/hubfs/Spot%20images/Download.png?width=3786&height=3074&name=Download.png 3786w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Download.png?width=4733&height=3843&name=Download.png 4733w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Download.png?width=5679&height=4611&name=Download.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> <div class="CTAGridRow__text"> <div class="flow"><h2>Download</h2></div> <div class="ButtonRow ButtonRow--centre"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://download.chemaxon.com/marvin" target="_blank" rel="noopener"> Download Calculators in Marvin </a> </div> </div> </div> </div> </div> </div> </div></div> </div> </div> </div> </div> <div class="span3 widget-span widget-type-cell dnd-column" style="" data-widget-type="cell" data-x="3" data-w="3"> <div class="row-fluid-wrapper row-depth-1 row-number-6 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1663664078907" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner TwoColumnBanner--video TwoColumnBanner--no-grid border TwoColumnBanner--flip"> <div class="wrapper"> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <div class="supertitle">Features</div> <div class="flow xl-heading"><h2>ADMET Plugin Group</h2> <p>Optimizing pharmacokinetics and toxicity attributes are profound goals across all drug discovery projects. The new ADMET plugin exploits the power of machine learning methods on curated data sets to support the drug design and medicinal chemistry optimization with reliable models and predictions.<br>The first released end-point is targeting the elimination of cardiotoxicity risk during drug discovery by predicting hERG inhibition.</p> <ul> <li>Continuous affinity prediction (pActivity=-log(Activity)) and classification</li> <li>State-of-the-art conformal prediction framework for error estimation</li> <li>Domain of applicability assessment: report on the top 5 most similar training data points</li> <li>Extendability: model can be re-trained with in-house data</li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://playground.calculators.cxn.io/" target="_blank" rel="noopener"> Try it now </a> </div> </div> </div> <div class="TwoColumnBanner__video"> <div class="oembed_container oembed_container--full-size" id="oembed_container-widget_1663664078907"> <div class="iframe_wrapper" data-embed-url="https://www.youtube.com/watch?v=xsMsl2DYVSo"> </div> </div> </div> </div> </div> </div></div> </div> </div> </div> </div> <div class="span3 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="6" data-w="3"> <div id="hs_cos_wrapper_module_1662111744027" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner "> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>Elemental Analysis</h2> <p>Elemental Analysis provides fundamental molecular properties for general chemistry workflows and analytical scientists.</p> <ul> <li>Exact and nominal mass, molecular weight and atom count</li> <li>Elemental composition</li> <li>Molecular formulae</li> <li>Molecular composition</li> <li>Mass spectrum (isotope distribution) calculation.<br><br></li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://docs.chemaxon.com/display/docs/Elemental+Analysis+Plugin" target="_blank" rel="noopener"> Elemental Analysis documentation - Try it now </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=2183&height=2010&name=ElementalAnalysis2.png" alt="ElementalAnalysis2" width="2183" height="2010" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=1092&height=1005&name=ElementalAnalysis2.png 1092w, https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=2183&height=2010&name=ElementalAnalysis2.png 2183w, https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=3275&height=3015&name=ElementalAnalysis2.png 3275w, https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=4366&height=4020&name=ElementalAnalysis2.png 4366w, https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=5458&height=5025&name=ElementalAnalysis2.png 5458w, https://chemaxon.com/hs-fs/hubfs/ElementalAnalysis2.png?width=6549&height=6030&name=ElementalAnalysis2.png 6549w" sizes="(max-width: 2183px) 100vw, 2183px"> </div> </div> </div></div> </div> <div class="span3 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="9" data-w="3"> <div id="hs_cos_wrapper_module_1662111990703" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner TwoColumnBanner--flip"> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>Protonation</h2> Ionization has an essential impact on compound behavior in nearly all protic environments. On top of its application in general and analytical chemistry, relationships to drug pharmacokinetics and pharmacodynamics are well-established. Acidic and basic dissociation constants (pKa) and the microspecies distribution at different pH values are important to quantitatively describe ionization and comprehend physical and biological processes. <br><br>The Protonation bundle includes:<br> <ul> <li>Highly-accurate calculation of pKa values along with pH dependent distribution plots of relevant microspecies in water - <a href="https://docs.chemaxon.com/display/docs/pka-plugin.md" rel="noopener" target="_blank">pKa documentation</a> </li> <li>Calculation of the major microspecies form at a given pH value - <a href="https://docs.chemaxon.com/display/docs/major-microspecies-plugin.md" rel="noopener" target="_blank">Major microspecies documentation</a> </li> <li><a href="https://docs.chemaxon.com/display/docs/isoelectric-point-plugin.md" rel="noopener" target="_blank">Isoelectric point calculation</a></li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://playground.calculators.cxn.io/" target="_blank" rel="noopener"> Try it now </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/pka.png?width=2949&height=1727&name=pka.png" alt="Protonation" width="2949" height="1727" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/pka.png?width=1475&height=864&name=pka.png 1475w, https://chemaxon.com/hs-fs/hubfs/pka.png?width=2949&height=1727&name=pka.png 2949w, https://chemaxon.com/hs-fs/hubfs/pka.png?width=4424&height=2591&name=pka.png 4424w, https://chemaxon.com/hs-fs/hubfs/pka.png?width=5898&height=3454&name=pka.png 5898w, https://chemaxon.com/hs-fs/hubfs/pka.png?width=7373&height=4318&name=pka.png 7373w, https://chemaxon.com/hs-fs/hubfs/pka.png?width=8847&height=5181&name=pka.png 8847w" sizes="(max-width: 2949px) 100vw, 2949px"> </div> </div> </div></div> </div> </div> </div> <div class="row-fluid-wrapper row-depth-1 row-number-7 dnd-row"> <div class="row-fluid "> <div class="span2 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="2"> <div id="hs_cos_wrapper_module_1662117785325" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner "> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>Partitioning</h2> <p>The partitioning of drugs in microscopic environments (e.g.: lipid bilayers of biological membranes) of different lipophilicity and hydrophilicity heavily influences its pharmacokinetic behavior. The partitioning is described by the logP and logD values of a drug, which are major descriptors in predicting ADMET properties.</p> <p>The Partitioning bundle provides calculation of:</p> <ul> <li>LogP values using scientifically sound methods - <a href="https://docs.chemaxon.com/display/docs/logp-plugin.md" rel="noopener" target="_blank">LogP documentation</a> </li> <li>LogD (pH vs. logD) plot - <a href="https://docs.chemaxon.com/display/docs/logd-plugin.md" rel="noopener" target="_blank">LogD documentation</a> </li> <li> <a href="https://docs.chemaxon.com/display/docs/hlb-predictor.md" rel="noopener" target="_blank">HLB (Hydrophilic Lipophilic Balance) number</a><br><br> </li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://playground.calculators.cxn.io/" target="_blank" rel="noopener"> Try it now </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/logp.png?width=2757&height=1788&name=logp.png" alt="Partitioning - LogP" width="2757" height="1788" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/logp.png?width=1379&height=894&name=logp.png 1379w, https://chemaxon.com/hs-fs/hubfs/logp.png?width=2757&height=1788&name=logp.png 2757w, https://chemaxon.com/hs-fs/hubfs/logp.png?width=4136&height=2682&name=logp.png 4136w, https://chemaxon.com/hs-fs/hubfs/logp.png?width=5514&height=3576&name=logp.png 5514w, https://chemaxon.com/hs-fs/hubfs/logp.png?width=6893&height=4470&name=logp.png 6893w, https://chemaxon.com/hs-fs/hubfs/logp.png?width=8271&height=5364&name=logp.png 8271w" sizes="(max-width: 2757px) 100vw, 2757px"> </div> </div> </div></div> </div> <div class="span2 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="2" data-w="2"> <div id="hs_cos_wrapper_module_1662118755504" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner TwoColumnBanner--flip"> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>Solubility</h2> <p>Solubility in water (commonly referred to as logS) is one of the most important parameters to achieve for desired pharmacological response. Any drug to be absorbed must be present as a solution at its site of absorption.</p> <p>As the majority of drugs are molecules that have ionizable groups, the solubility of the compound depends highly on the pH environment. The Solubility Predictor is able to predict:</p> <ul> <li aria-level="1">Intrinsic (thermodynamic) solubility in water</li> <li aria-level="1">pH-dependent solubility (pH-logS plot)</li> <li aria-level="1">A qualitative solubility category<br><br> </li> </ul> <a href="https://docs.chemaxon.com/display/docs/HLB+Predictor" rel="noopener" target="_blank"></a><a href="https://docs.chemaxon.com/display/docs/solubility-predictor.md" rel="noopener" target="_blank">Solubility Documentation</a></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://playground.calculators.cxn.io/" target="_blank" rel="noopener"> Try it now </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/solubility.png?width=2923&height=1840&name=solubility.png" alt="solubility" width="2923" height="1840" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/solubility.png?width=1462&height=920&name=solubility.png 1462w, https://chemaxon.com/hs-fs/hubfs/solubility.png?width=2923&height=1840&name=solubility.png 2923w, https://chemaxon.com/hs-fs/hubfs/solubility.png?width=4385&height=2760&name=solubility.png 4385w, https://chemaxon.com/hs-fs/hubfs/solubility.png?width=5846&height=3680&name=solubility.png 5846w, https://chemaxon.com/hs-fs/hubfs/solubility.png?width=7308&height=4600&name=solubility.png 7308w, https://chemaxon.com/hs-fs/hubfs/solubility.png?width=8769&height=5520&name=solubility.png 8769w" sizes="(max-width: 2923px) 100vw, 2923px"> </div> </div> </div></div> </div> <div class="span2 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="4" data-w="2"> <div id="hs_cos_wrapper_module_1662119103111" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner "> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>NMR Predictor</h2> <p>Nuclear Magnetic Resonance spectroscopy is an experimental research technique used by scientists to determine chemical structure of molecules.</p> <p>As NMR spectrometers are relatively expensive, predicting NMR spectra for a set of possible structures and comparing them with experimental data is a well established approach to facilitate structure elucidation. The NMR Predictor is able to:</p> <ul> <li aria-level="1">Predict <sup>13</sup>C and <sup>1</sup>H NMR spectra for molecules composed of the most frequent elements (H, C, N, O, F, Cl, Br, I, P, S, Si, Se, B, Sn, Ge, Te and As)</li> <li aria-level="1">Import and display NMR spectra from JCAMP-DX files</li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://docs.chemaxon.com/display/docs/NMR+Predictor" target="_blank" rel="noopener"> NMR Predictor documentation </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=1888&height=1130&name=nmr_marvin.png" alt="nmr_marvin" width="1888" height="1130" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=944&height=565&name=nmr_marvin.png 944w, https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=1888&height=1130&name=nmr_marvin.png 1888w, https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=2832&height=1695&name=nmr_marvin.png 2832w, https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=3776&height=2260&name=nmr_marvin.png 3776w, https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=4720&height=2825&name=nmr_marvin.png 4720w, https://chemaxon.com/hs-fs/hubfs/nmr_marvin.png?width=5664&height=3390&name=nmr_marvin.png 5664w" sizes="(max-width: 1888px) 100vw, 1888px"> </div> </div> </div></div> </div> <div class="span2 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="6" data-w="2"> <div id="hs_cos_wrapper_module_1662123405725" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner TwoColumnBanner--flip"> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>Isomers</h2> <p>Isomerism is an interconversion between molecules that have identical atomic composition, but different arrangement of bonds or spatial orientation. Tautomerism, stereoisomerism and resonance are examples of these inter-conversions.</p> <p>Tautomerization can affect identification, searching and physico-chemical properties of molecules. Stereoisomers have the same physico-chemical properties (e.g.: melting point, solubility), but they differ in pharmacokinetic and pharmacodynamic behavior. Resonance describes the rearrangement of delocalized electrons in the molecule, which results in a set of contributing structures of the original structure.</p> <p>The Isomers bundle can:</p> <ul> <li aria-level="1">Generate different tautomer sets useful for searching and tautomer handling</li> <li aria-level="1">Calculate tautomer distribution and major tautomer form in water</li> <li aria-level="1">Generate tetrahedral and double-bond stereoisomers starting either from a 2D or 3D structure</li> <li aria-level="1">Generate resonance structures</li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://docs.chemaxon.com/display/docs/Stereoisomer+Generator+Plugin" target="_blank" rel="noopener"> Isomers and stereoisomers documentation </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=956&height=1138&name=stereo_demo.png" alt="stereo_demo" width="956" height="1138" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=478&height=569&name=stereo_demo.png 478w, https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=956&height=1138&name=stereo_demo.png 956w, https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=1434&height=1707&name=stereo_demo.png 1434w, https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=1912&height=2276&name=stereo_demo.png 1912w, https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=2390&height=2845&name=stereo_demo.png 2390w, https://chemaxon.com/hs-fs/hubfs/stereo_demo.png?width=2868&height=3414&name=stereo_demo.png 2868w" sizes="(max-width: 956px) 100vw, 956px"> </div> </div> </div></div> </div> <div class="span2 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="8" data-w="2"> <div id="hs_cos_wrapper_module_1662123500149" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner "> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Features</p> <div class="flow "><h2>Structural Calculations</h2> <p>The Structural Calculations bundle provides different structural calculations including:</p> <ul> <li aria-level="1">Hydrogen Bond Donor/Acceptor (HBDA) count</li> <li aria-level="1">2D topological descriptors</li> <li aria-level="1">3D geometrical descriptors</li> <li aria-level="1">Molecular surface calculations</li> <li aria-level="1">3D conformer generation, molecular dynamics</li> <li aria-level="1">3D Alignment</li> <li aria-level="1">Different electron structural property calculations</li> </ul></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://docs.chemaxon.com/display/docs/Molecular+modeling+plugins" target="_blank" rel="noopener"> Structural Calculations documentation </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/conformers.png?width=2896&height=1677&name=conformers.png" alt="Structural Calculations - conformers" width="2896" height="1677" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/conformers.png?width=1448&height=839&name=conformers.png 1448w, https://chemaxon.com/hs-fs/hubfs/conformers.png?width=2896&height=1677&name=conformers.png 2896w, https://chemaxon.com/hs-fs/hubfs/conformers.png?width=4344&height=2516&name=conformers.png 4344w, https://chemaxon.com/hs-fs/hubfs/conformers.png?width=5792&height=3354&name=conformers.png 5792w, https://chemaxon.com/hs-fs/hubfs/conformers.png?width=7240&height=4193&name=conformers.png 7240w, https://chemaxon.com/hs-fs/hubfs/conformers.png?width=8688&height=5031&name=conformers.png 8688w" sizes="(max-width: 2896px) 100vw, 2896px"> </div> </div> </div></div> </div> <div class="span2 widget-span widget-type-cell dnd-column" style="" data-widget-type="cell" data-x="10" data-w="2"> <div class="row-fluid-wrapper row-depth-1 row-number-8 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1680003900910" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner "> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <p class="supertitle">Trainer Engine</p> <div class="flow xl-heading"><h2><span data-token-index="0" data-reactroot="">Translate data to prediction</span></h2> <p><span>Trainer Engine makes chemical, physical and biological activity predictions available by streamlining learning from input data with high accuracy, reliability and confidence at scale. The framework simplifies sharing models, and managing the machine learning lifecycle.</span></p></div> <div class="ButtonRow"> <div class="Button Button--black Button--icon Button--outlined "> <a href="https://chemaxon.com/trainer-engine?hsLang=en"> Learn More </a> </div> </div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--cover" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=3819&height=2079&name=Analyse.png" alt="Analyse" width="3819" height="2079" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=1910&height=1040&name=Analyse.png 1910w, https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=3819&height=2079&name=Analyse.png 3819w, https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=5729&height=3119&name=Analyse.png 5729w, https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=7638&height=4158&name=Analyse.png 7638w, https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=9548&height=5198&name=Analyse.png 9548w, https://chemaxon.com/hs-fs/hubfs/Analyse.png?width=11457&height=6237&name=Analyse.png 11457w" sizes="(max-width: 3819px) 100vw, 3819px"> </div> </div> </div></div> </div> </div> </div> <div class="row-fluid-wrapper row-depth-1 row-number-9 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_module_1662123767593" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="TwoColumnBanner TwoColumnBanner--flip"> <div class="grid grid--cols-2 grid--align-end"> <div class="TwoColumnBanner__text grid-padding"> <div class="flow "><h2>Availability</h2> <p>The versatile Calculators & Predictors technology is available through a number of other applications and can be accessed in multiple ways. Smart interfaces fitting the environment you can work the most effectively:</p> <ul> <li>Calculator plugins for molecules sketched in <a href="/marvin?hsLang=en" rel="noopener" target="_blank">Marvin</a> </li> <li>Analyzing charts and prediction results via <a href="https://disco.chemaxon.com/calculators/playground/" rel="noopener" target="_blank">Playground</a> or <a href="https://chemicalize.com/welcome" rel="noopener" target="_blank">Chemicalize</a> </li> <li>Organizing data, calculation functions in <a href="/jchem-for-office?hsLang=en" rel="noopener" target="_blank">JChem for Office</a> </li> <li>Preparing large sets, batch processing via command line tool <a href="https://docs.chemaxon.com/display/docs/cxcalc-command-line-tool.md" rel="noopener" target="_blank">cxcalc</a> </li> <li>Using from other Chemaxon products, <a href="https://docs.chemaxon.com/display/docs/chemical-terms.md" rel="noopener" target="_blank">Chemical Terms</a> functions are available to access calculations in JChem Engines, Instant JChem, JChem for Office, Compound Registration or Reactor</li> <li>Working with workflow tools: calculator nodes in KNIME and components in Pipeline Pilot</li> <li>Integrating: <a href="https://docs.chemaxon.com/display/docs/using-calculator-plugins-via-api.md" rel="noopener" target="_blank">Java API</a>, <a href="https://jchem-microservices.chemaxon.com/jws-calculations/api/index.html" rel="noopener" target="_blank">REST API</a> </li> <li> <p><span>Secure, stateless SaaS REST API for integration: </span><a href="https://aws.amazon.com/marketplace/pp/prodview-bpnrwlvx2cys4">Calculators and Predictors on AWS Marketplace</a></p> </li> </ul></div> </div> <div class="expandable TwoColumnBanner__media TwoColumnBanner__media--contain" style="background-color: rgba(255, 255, 255, 1);"> <img class="TwoColumnBanner__image" src="https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=1893&height=1537&name=Spot%20Image%2011.png" alt="Spot Image 11" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=947&height=769&name=Spot%20Image%2011.png 947w, https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=1893&height=1537&name=Spot%20Image%2011.png 1893w, https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=2840&height=2306&name=Spot%20Image%2011.png 2840w, https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=3786&height=3074&name=Spot%20Image%2011.png 3786w, https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=4733&height=3843&name=Spot%20Image%2011.png 4733w, https://chemaxon.com/hs-fs/hubfs/Thank%20you%20page/Spot%20Image%2011.png?width=5679&height=4611&name=Spot%20Image%2011.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> </div> </div></div> </div> </div> </div> </div> </div> </div> <div class="row-fluid-wrapper row-depth-1 row-number-10 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1662464826823" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="SectionTitle border "> <div class="SectionTitle--left grid grid-padding "> <div class="SectionTitle__content" style="max-width:680px"> <p class="supertitle">Knowledge Hub</p> <div class="flow xl-heading"><h2>Resources</h2> <p>Learn more about Calculators & Predictors</p></div> </div> </div> </div></div> </div> </div> </div> <div class="row-fluid-wrapper row-depth-1 row-number-11 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1661133878842" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="ListCards border"> <div class="grid grid--cols-4"> <div class="ListCard"> <div class="ListCard__text"> <div class="flow"> <h3>Documentation</h3> </div> </div> <div class="ListCard__image aspect--16-10"> <img class="image--contain" src="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=1893&height=1537&name=Documents.png" alt="Documents" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=947&height=769&name=Documents.png 947w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=1893&height=1537&name=Documents.png 1893w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=2840&height=2306&name=Documents.png 2840w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=3786&height=3074&name=Documents.png 3786w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=4733&height=3843&name=Documents.png 4733w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Documents.png?width=5679&height=4611&name=Documents.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> <div class="ListCard--bottom"> <div class="ListCardItems"> <div class="ListCardItem"> <a href="https://docs.chemaxon.com/display/docs/Calculator+Plugins+User's+Guide" target="_blank" rel="noopener"> <p><strong>User's guide</strong></p> </a> </div> <div class="ListCardItem"> <a href="https://docs.chemaxon.com/display/docs/Calculator+Plugins+Developer's+Guide" target="_blank" rel="noopener"> <p><strong>Developer's guide</strong></p> </a> </div> <div class="ListCardItem"> <a href="https://docs.chemaxon.com/display/docs/cxcalc+command+line+tool" target="_blank" rel="noopener"> <p><strong>cxcalc - CLI for the Calculators</strong></p> </a> </div> </div> </div> </div> <div class="ListCard"> <div class="ListCard__text"> <div class="flow"> <h3>API Docs</h3> </div> </div> <div class="ListCard__image aspect--16-10"> <img class="image--contain" src="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=1893&height=1537&name=Spot%20Image%2010.png" alt="Spot Image 10" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=947&height=769&name=Spot%20Image%2010.png 947w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=1893&height=1537&name=Spot%20Image%2010.png 1893w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=2840&height=2306&name=Spot%20Image%2010.png 2840w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=3786&height=3074&name=Spot%20Image%2010.png 3786w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=4733&height=3843&name=Spot%20Image%2010.png 4733w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Spot%20Image%2010.png?width=5679&height=4611&name=Spot%20Image%2010.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> <div class="ListCard--bottom"> <div class="ListCardItems"> <div class="ListCardItem"> <a href="https://docs.chemaxon.com/display/docs/Plugin+API+usage+examples" target="_blank" rel="noopener"> <p><strong>Calculators plugins API</strong></p> </a> </div> <div class="ListCardItem"> <a href="https://apidocs.chemaxon.com/dotNET/6.3/API/online/index.html" target="_blank" rel="noopener"> <p><strong>.NET API</strong></p> </a> </div> </div> </div> </div> <div class="ListCard"> <div class="ListCard__text"> <div class="flow"> <h3>Training & Examples</h3> </div> </div> <div class="ListCard__image aspect--16-10"> <img class="image--contain" src="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=1893&height=1537&name=Training.png" alt="Training" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=947&height=769&name=Training.png 947w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=1893&height=1537&name=Training.png 1893w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=2840&height=2306&name=Training.png 2840w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=3786&height=3074&name=Training.png 3786w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=4733&height=3843&name=Training.png 4733w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Training.png?width=5679&height=4611&name=Training.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> <div class="ListCard--bottom"> <div class="ListCardItems"> <div class="ListCardItem"> <a href="https://apidocs.chemaxon.com/dotNET/6.3/examples.html" target="_blank" rel="noopener"> <p><strong>.NET Code Examples</strong></p> </a> </div> <div class="ListCardItem"> <a href="https://chemaxon.com/search?q=%22Calculator+Plugins%22&hsLang=en" target="_blank" rel="noopener"> <p><strong>Library items</strong></p> </a> </div> </div> </div> </div> <div class="ListCard"> <div class="ListCard__text"> <div class="flow"> <h3>Help & support</h3> </div> </div> <div class="ListCard__image aspect--16-10"> <img class="image--contain" src="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=1893&height=1537&name=Help%20and%20support.png" alt="Help and support" width="1893" height="1537" loading="lazy" srcset="https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=947&height=769&name=Help%20and%20support.png 947w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=1893&height=1537&name=Help%20and%20support.png 1893w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=2840&height=2306&name=Help%20and%20support.png 2840w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=3786&height=3074&name=Help%20and%20support.png 3786w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=4733&height=3843&name=Help%20and%20support.png 4733w, https://chemaxon.com/hs-fs/hubfs/Spot%20images/Help%20and%20support.png?width=5679&height=4611&name=Help%20and%20support.png 5679w" sizes="(max-width: 1893px) 100vw, 1893px"> </div> <div class="ListCard--bottom"> <div class="ListCardItems"> <div class="ListCardItem"> <a href="https://chemaxon.freshdesk.com/support/home" target="_blank" rel="noopener"> <p><strong>Support tickets</strong></p> </a> </div> <div class="ListCardItem"> <a href="https://docs.chemaxon.com/display/docs/Calculator+Plugins+FAQ" target="_blank" rel="noopener"> <p><strong>Calculator Plugins FAQs</strong></p> </a> </div> <div class="ListCardItem"> <a href="https://docs.chemaxon.com/display/docs/Calculator+Plugins+History+of+Changes" target="_blank" rel="noopener"> <p><strong>History of changes</strong></p> </a> </div> </div> </div> </div> </div> </div></div> </div> </div> </div> <div class="row-fluid-wrapper row-depth-1 row-number-12 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1661133934336" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="SectionTitle border "> <div class="SectionTitle--left grid grid-padding "> <div class="SectionTitle__content" style="max-width:680px"> <div class="flow xl-heading"><h2>Related products</h2></div> </div> </div> </div></div> </div> </div> </div> <div class="row-fluid-wrapper row-depth-1 row-number-13 dnd-row"> <div class="row-fluid "> <div class="span12 widget-span widget-type-custom_widget dnd-module" style="" data-widget-type="custom_widget" data-x="0" data-w="12"> <div id="hs_cos_wrapper_widget_1661133944439" class="hs_cos_wrapper hs_cos_wrapper_widget hs_cos_wrapper_type_module" style="" data-hs-cos-general-type="widget" data-hs-cos-type="module"> <div class="FilterGrid border"> <div class="Filters"> <div class="Filters--row"> <div class="Filters__title">Filter products</div> <div class="FiltersMenu"> <div class="FiltersMenu__placeholder FiltersMenu--toggle">Capabilities</div> <div class="FiltersMenu--sub"> <div data-filter="Drawing & Representation" class="FiltersMenu__item"> Drawing & Representation </div> <div data-filter="Search" class="FiltersMenu__item"> Search </div> <div data-filter="Calculations & LibEnum" class="FiltersMenu__item"> Calculations & LibEnum </div> <div data-filter="Registration" class="FiltersMenu__item"> Registration </div> <div data-filter="Naming" class="FiltersMenu__item"> Naming </div> </div> </div> <div class="FiltersMenu"> <div class="FiltersMenu__placeholder FiltersMenu--toggle">Workflows</div> <div class="FiltersMenu--sub"> <div data-filter="Chemical Data Management" class="FiltersMenu__item"> Chemical Data Management </div> <div data-filter="Drug Discovery - Lead Optimization" class="FiltersMenu__item"> Drug Discovery - Lead Optimization </div> <div data-filter="Chemistry R&D - Patent Management" class="FiltersMenu__item"> Chemistry R&D - Patent Management </div> <div data-filter="Chemistry R&D - Compound Synthesis" class="FiltersMenu__item"> Chemistry R&D - Compound Synthesis </div> <div data-filter="Education" class="FiltersMenu__item"> Education </div> </div> </div> </div> <div class="FiltersResult border"> <div id="clearFilters" class="FiltersResult__clear">Clear all filters</div> <div class="FiltersResultMessage"></div> </div> </div> <div class="row grid-padding"> <div class="FilterGrid--grid"> <a data-attributes="["Naming","Drawing & Representation","Calculations & LibEnum","Drug Discovery - Lead Optimization","Chemistry R&D - Compound Synthesis","Chemistry R&D - Patent Management","Education"]" href="/marvin?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Marvin</h2> <p class="ProductCard__description">Full featured chemical editor for all platforms</p> </div> </a> <a data-attributes="["Naming","Drawing & Representation","Drug Discovery - Lead Optimization","Chemistry R&D - Compound Synthesis","Education"]" href="/chemical-naming-and-structure-conversion?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Chemical Naming</h2> <p class="ProductCard__description">Convert chemical names into structures</p> </div> </a> <a data-attributes="["Naming","Registration","Drawing & Representation","Drug Discovery - Lead Optimization","Chemical Data Management","Chemistry R&D - Patent Management","Education"]" href="/markush-editor-and-markushtools?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Markush Technology</h2> <p class="ProductCard__description">Smart assistant for patent claim drafting and Markush analysis</p> </div> </a> <a data-attributes="["Drawing & Representation","Search","Chemistry R&D - Compound Synthesis","Chemical Data Management"]" href="/chemical-structure-representation-toolkit?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Chemical Structure Representation</h2> <p class="ProductCard__description">Standardization and correction of chemical structures</p> </div> </a> <a data-attributes="["Registration","Drug Discovery - Lead Optimization","Chemistry R&D - Compound Synthesis","Chemistry R&D - Patent Management","Education"]" href="https://chemicalize.com/welcome" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Chemicalize</h2> <p class="ProductCard__description">Calculate properties instantly, search chemical data, and draw molecules online</p> </div> </a> <a data-attributes="["Naming","Chemistry R&D - Compound Synthesis","Chemical Data Management"]" href="/compound-registration?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Compound Registration</h2> <p class="ProductCard__description">Normalize, check, validate and register chemical compounds</p> </div> </a> <a data-attributes="["Naming","Registration","Drug Discovery - Lead Optimization","Chemistry R&D - Compound Synthesis","Chemistry R&D - Patent Management","Education"]" href="/reactor?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Reactor</h2> <p class="ProductCard__description">High performance virtual synthesis engine</p> </div> </a> <a data-attributes="["Registration","Chemistry R&D - Compound Synthesis","Chemical Data Management","Chemistry R&D - Patent Management","Education"]" href="/jchem-for-office?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">JChem for Office</h2> <p class="ProductCard__description">Chemical structure handling, data analysis, visualization and reporting capabilities within MS Office</p> </div> </a> <a data-attributes="["Registration","Drawing & Representation","Calculations & LibEnum","Chemistry R&D - Compound Synthesis","Chemical Data Management","Chemistry R&D - Patent Management"]" href="/design-hub?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Design Hub</h2> <p class="ProductCard__description">A single platform that connects scientific rationale, compound design and computational resources</p> </div> </a> <a data-attributes="["Registration","Search","Chemistry R&D - Compound Synthesis","Chemical Data Management","Chemistry R&D - Patent Management"]" href="/jchem-engines?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">JChem Engines</h2> <p class="ProductCard__description">Search through tens of millions of chemical compounds and receive relevant query hits in seconds.</p> </div> </a> <a data-attributes="["Calculations & LibEnum","Drug Discovery - Lead Optimization","Chemistry R&D - Compound Synthesis","Chemistry R&D - Patent Management","Education"]" href="/calculators-and-predictors?hsLang=en" class="FiltersGridItem ProductCard Card--has-button"> <div class="ProductCard--top"> <h2 class="ProductCard__title">Calculators and Predictors</h2> <p class="ProductCard__description">Execute high quality physico-chemical calculations and predictions.</p> </div> </a> <a data-attributes="["Drug 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