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ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug inducing properties. [1] It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory ( EMBL ), based at the Wellcome Trust Genome Campus , Hinxton, UK.
CAS PubChem ChEMBL INN UNII "G-SRS". 109,260 GMD Golm Metabolome Database GC/MS of metabolites "GMD". Guide to PHARMACOLOGY IUPHAR: drugs and targets INN CAS ChEBI ChEMBL DrugBank PubChem "Guide to PHARMACOLOGY". Henry's law constants Max Planck Institute for Chemistry: volatile compounds Henry's law constants from literature "Henry's law ...
In 2014 ChEMBL announced plans to adopt HELM by 2014. [6] The informatics company BIOVIA developed a modified Molfile format called the Self-Contained Sequence Representation (SCSR) A standard which can incorporate individual attempts to solve the problem and be used universally and avoid proliferating standards is a goal of HELM. [5]
Chemical structures are traditionally represented using lines indicating chemical bonds between atoms and drawn on paper (2D structural formulae).While these are ideal visual representations for the chemist, they are unsuitable for computational use and especially for search and storage.
We are verifying the CAS Registry number (|CASNo= in {}, |CAS_number= in {}), ChemSpiderID (ChemSpiderID), Unique Ingredient Identifier (UNII), InChI, KEGG, and ChEMBL by comparison with the data on CAS website, ChemSpider and FDA'S UNII Search Service as well as from lists supplied by (CAS number, ChemSpiderID, InChI, UNII, ChEMBL and ChEBI ...
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In addition, each data item is fully traceable and explicitly referenced to the original source. It is related in scope other databases such as ChEMBL, ChemSpider, DrugBank, MetaboLights and PubChem. ChEBI data is available through a public web application, web services, SPARQL endpoint and downloads. [1] [2]
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