Chemical

  • ChemBL: A manually curated database of bioactive molecules with drug-like properties, integrating chemical, bioactivity, and genomic data to aid drug discovery.
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  • ChemMine: A compound mining portal to facilitate drug and agrochemical discovery, offering chemical genomics screens and a toolbox for cheminformatics research.
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  • ChemSpider: commercially-available compounds
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  • DrugBank: Offers structured drug information, including emerging research and novel connections, to support drug discovery, clinical software, and academic research.
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  • DrugMAP: a comprehensive structural resource of protein complexes (online)
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  • GDB-17: The GDB-17 database represents a comprehensive collection of hypothetical organic molecules for use in computational chemistry and drug discovery.
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  • PubChem: The world's largest collection of freely accessible chemical information, offering chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations, and more.
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