drug discovery software and products

Drug Discovery Products

Drug Discovery CROs | Drug Discovery Products | Drug Discovery Equipment Suppliers | Drug Development CDMOs

This site area is intended to help identify and curate industry suppliers that provide drug discovery software or drug discovery products of particular interest to professionals. We are working on a self-service option so that listed companies may update it themselves.

If your company would like to be included in this list of drug discovery software providers or drug discovery suppliers, please contact us with the information for the table.

CompanyEst. EmployeesRelevant Specialty
Ainnocencehttps://www.ainnocence.com/Product20Expert AI Med-Chem Companion: our system quickly learns and generates high probability de novo molecules for hits while accounting for pharmacology (ADME, PK, Toxicity), lead optimization and more. Inquire for details.
ThermoFisherhttps://www.thermofisher.com/us/en/home.htmlProducts70,000Biological Reagents and Assay Components
Dassault Systems BIOVIA https://www.3ds.com/products-services/biovia/products/molecular-modeling-simulation/generative-therapeutics-design/Products20,000 Comp Chem, AI/ML, software and contract research
Millipore Sigmahttps://www.sigmaaldrich.comProducts5,125Specialty Chemicals, Manufacturing
MedChemExpresshttps://www.medchemexpress.com/Products2,500Relevant specialty: Small Molecules, Recombinant Proteins, Screening Libraries, Custom Synthesis
ChemDivhttps://www.chemdiv.com/Products658Integrated drug discovery, custom chemistry, HTS
PharmaBlockhttps://www.pharmablock.comProducts500Building blocks, intermediates and APIs
Accela ChemBiohttps://www.accelachem.comProducts500Building blocks, intermediates and advanced API
Excelrahttps://www.excelra.com/Products500GOSTAR, activity data provider, comp. chemistry
Spotfirehttps://spotfire.tibco.comProducts500Data visualization software, cheminformatics
Cayman Chemical https://www.caymanchem.com/ Products500Screening Libraries, LNPs, Assays, Small Molecules
AstaTechhttps://www.astatechinc.com/Products400catalog/Bulk Building blocks, custom synthesis, APIs
Dotmaticshttps://www.dotmatics.comProducts250Drug discovery software, cheminformatics
Schrodingerhttps://www.schrodinger.comProducts250Computational chemistry software
BOC Scienceshttps://www.bocsci.comProducts250Inhibitors, impurities, intermediates, custom synthesis
Enaminehttps://enamine.net/Products221Specialty Building Blocks, Libraries
Sinocompoundhttps://en.sinocompound.comProducts213Homogeneous catalysts and ligands, custom synthesis
Insilicohttps://insilico.com/Products200AI-driven drug discovery and development
Life Chemicalshttps://lifechemicals.com/Products100Targeted libraries, Custom synthesis
Molecular Discoveryhttps://www.moldiscovery.com/software/metasite/Products75MetaSite metabolic site prediction software
Genevachttps://www.genevac.com/Products75Centrifugal evaporation/concentration systems
Targetmolhttps://www.targetmol.com/Products75Screening libraries and compounds
Primetech Corporationhttps://www.iprecio.com/Product60Programmable Refillable Implantable Infusion Pumps
Collaborative Drughttps://www.collaborativedrug.com/Products50Informatics, ELN, data management & visualization
Cressethttp://www.cresset-group.com/Products47Services for molecule discovery and design
eMoleculeshttps://www.emolecules.com/Products41Advanced chemical intermediates, specialty chemicals
Optibrium (StarDrop)https://www.optibrium.com/stardrop/Products40Drug discovery software, predictive ADME
Key Organicshttps://www.keyorganics.net/Products36Provision of intermediates, screening compounds and fragment libraries. >200,000 compounds
Genialishttps://www.genialis.comProducts30Biomarker discovery: informatics, data infrastructure, AI/ML
ChemSpacehttps://chem-space.com/Products30Marketplace for Chemicals
Vitas-M Laboratoryhttps://vitasmlab.biz/storeProducts30Fragments for early stage Drug Discovery
MolPorthttps://www.molport.com/shop/indexProducts26Screening Compounds
Otava Chemicalhttps://www.otavachemicals.comProducts25Fragment libraries, compound libraries for HTS
Chemical Computing Grouphttps://www.chemcomp.com/index.htmProducts25Computer-aided drug design tools
AChemBlockhttps://www.achemblock.com/Products22Specialty Building Blocks, Manufacturing
Focus Biomoleculeshttps://focusbiomolecules.com/Products20Bioactive modulators, US manufacturer
MedChemExpresshttps://www.medchemexpress.com/Products20Bioactive Compounds, Tool Compounds
CombiBlockshttps://www.combi-blocks.com/Products10Building Blocks
OpenBench https://www.opnbnch.com/Products5Virtual Screening, Structure Based Hit Discovery
Evidentichttps://evidentic.com/Product5original therapeutic molecules, analytics
Galaxy Genomicshttps://www.galaxygenomics.comProducts10Protein, Peptide and Enzyme engineering and design

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If your company would like to be included in this list of drug discovery software providers or drug discovery suppliers, please contact us with the information for the table.