---
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description: A database of bioactive drug-like small molecules and bioactivities abstracted from the scientific literature.
name: chembl
name_label: ChEMBL
name_long: ChEMBL
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description: A free database of commercially-available compounds for virtual screening, provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF). [Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82]
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name_label: ZINC
name_long: ZINC
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base_id_url: https://www.emolecules.com/cgi-bin/more?vid=
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description: A free chemical structure search engine containing millions of public domain structures. Pricing, availabilities, and vendor information requires an eMolecules Plus subscription.
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name_label: eMolecules
name_long: eMolecules
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src_url: https://www.emolecules.com/
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description: The data are provided by IBM-NIH and include all chemistry extracted by means of text and image mining from the patent corpus (USPTO, WIPO and EPO) for patent documents published through 31-12-2010. Identifiers in UniChem are IBM compound identifiers.
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name_long: IBM strategic IP insight platform and the National Institutes of Health
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description: "The primary goal of the FDA/USP Substance Registration System (SRS) is to unambiguously define all substances present in regulated products. Once a substance has been defined, the SRS assigns a strong identifier that is permanently associated with the substance: a UNII (Unique Ingredient Identifier). This is a a non-proprietary, free, unique, unambiguous, nonsemantic, alphanumeric identifier based on a substances molecular structure and/or descriptive information."
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name_long: FDA/USP Substance Registration System (SRS)
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description: SureChEMBL automatically extracts chemistry from the full text of all major patent authorities. Compounds are derived from either chemical names found in text or in chemical depictions. All SureChEMBL compounds are included, except those failing UniChem loading rules.
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name_label: SureChEMBL
name_long: SureChEMBL
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src_id: 15
src_url: https://www.surechembl.org/search/
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description: "A subset of the PubChem DB: from the original depositor 'Thomson Pharma'."
name: pubchem_tpharma
name_label: "PubChem: Thomson Pharma "
name_long: PubChem ('Thomson Pharma' subset)
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src_id: 21
src_url: http://www.thomson-pharma.com/
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description: A database of normalized PubChem compounds (CIDs) from the PubChem Database.
name: pubchem
name_label: PubChem
name_long: PubChem Compounds
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src_id: 22
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base_id_url: http://actor.epa.gov/actor/chemical.xhtml?casrn=
base_id_url_available: 1
description: ACToR (Aggregated Computational Toxicology Resource)
name: actor
name_label: ACToR
name_long: ACToR
src_compound_id:
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src_id: 26
src_url: https://actor.epa.gov/actor/
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base_id_url: https://www.molport.com/shop/molecule-link/
base_id_url_available: 1
description: MolPort. A database designed to assist users find commercial sources of compounds. Access requires (free) registration.
name: molport
name_label: MolPort
name_long: MolPort
src_compound_id:
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description: The foundation of chemical safety testing relies on chemistry information such as high-quality chemical structures and physicochemical properties. This information is used by scientists to predict the potential health risks of chemicals.The CompTox Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of data and information on over 700,000 chemicals currently in use and of interest to environmental researchers. Within the CompTox Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures
name: comptox
name_label: EPA CompTox Dashboard
name_long: EPA (Environmental Protection Agency) CompTox Dashboard
src_compound_id:
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src_id: 32
src_url: https://comptox.epa.gov/dashboard/