Computational protocol: Objective, Quantitative, Data-Driven Assessment of Chemical Probes

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Protocol publication

[…] Commercial availability is not reported as a score because we believe that this would discourage the supply of the best chemical tools and does not represent an inherent property of compounds. However, we recognise that knowing whether a chemical tool is commercially available is important for chemical tool selection and thus we provide this information in each chemical tool synopsis page. We consider a compound is commercially available if it is present in the catalogue of eMolecules (https://www.emolecules.com/) that comprises over 8 million compounds from a network of suppliers. To identify if a compound is present in the eMolecules database we use UniChem cross-references (). […]

Pipeline specifications

Software tools eMolecules, UniChem
Application Drug design