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Chemistry AI Tools

AI and automation-friendly tools for reaction prediction, molecule design, computational chemistry, chemistry data, synthesis planning, and chemical discovery.

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AqemiaAqemia supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.
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AtomwiseAtomwise supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.
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BenevolentAIBenevolentAI supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.
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CAS SciFinderCAS SciFinder supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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CCDCCCDC supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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ChemAxonChemAxon supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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Chemical.AIChemical.AI supports AI-assisted or automation-friendly workflows for chemistry, synthesis planning, science and research, or related technical workflows. Details should be verified before outreach.
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Citrine InformaticsCitrine Informatics supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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Collaborative Drug DiscoveryCollaborative Drug Discovery supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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DeepMatterDeepMatter supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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EnamineEnamine supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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ExscientiaExscientia supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.
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Genesis TherapeuticsGenesis Therapeutics supports AI-assisted or automation-friendly workflows for chemistry, molecule design, science and research, or related technical workflows. Details should be verified before outreach.
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IBM RXN for ChemistryIBM RXN for Chemistry supports AI-assisted or automation-friendly workflows for chemistry, reaction prediction, science and research, or related technical workflows. Details should be verified before outreach.
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Insilico MedicineInsilico Medicine supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.
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LabGeniusLabGenius supports AI-assisted or automation-friendly workflows for chemistry, molecule design, science and research, or related technical workflows. Details should be verified before outreach.
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MolSSIMolSSI supports AI-assisted or automation-friendly workflows for chemistry, computational chemistry, science and research, or related technical workflows. Details should be verified before outreach.
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Molecular Materials InformaticsMolecular Materials Informatics supports AI-assisted or automation-friendly workflows for chemistry, molecule design, science and research, or related technical workflows. Details should be verified before outreach.
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OpenEye ScientificOpenEye Scientific supports AI-assisted or automation-friendly workflows for chemistry, computational chemistry, science and research, or related technical workflows. Details should be verified before outreach.
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OptibriumOptibrium supports AI-assisted or automation-friendly workflows for chemistry, molecule design, science and research, or related technical workflows. Details should be verified before outreach.
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ReaxysReaxys supports AI-assisted or automation-friendly workflows for chemistry, chemistry data, science and research, or related technical workflows. Details should be verified before outreach.
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SchrödingerSchrödinger supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.
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SynthegoSynthego supports AI-assisted or automation-friendly workflows for chemistry, synthesis planning, science and research, or related technical workflows. Details should be verified before outreach.
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TetraScienceTetraScience supports AI-assisted or automation-friendly workflows for lab automation, lims workflows, science and research, or related technical workflows. Details should be verified before outreach.
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XtalPiXtalPi supports AI-assisted workflows for drug discovery and related healthcare, wellness, operational, or research use cases. Details should be verified before outreach.