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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 (), based at the Wellcome Trust Genome Campus, Hinxton, UK.
Benzylisoquinoline Alkaloid Database "BIAdb". 846 BindingDB The Binding Database Skaggs School of Pharmacy and Pharmaceutical Sciences at the University of California, San Diego noncovalent association of molecules in solution ChEMBL SMILES InChiKey targets "BindingDB". BindingMOAD Binding Mother of All Databases protein ligand structures
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
SyntheticPages is a free interactive database of synthetic chemistry procedures operated by the Royal Society of Chemistry. [15] Users submit synthetic procedures which they have conducted themselves for publication on the site. These procedures may be original works, but they are more often based on literature reactions.
The InChI has been adopted by many larger and smaller databases, including ChemSpider, ChEMBL, Golm Metabolome Database, and PubChem. [18] However, the adoption is not straightforward, and many databases show a discrepancy between the chemical structures and the InChI they contain, which is a problem for linking databases.
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It is free and open-source software released under a GNU General Public License (GPL) 2.0. The project's stated goal is: "Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including ...