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general repository for interaction datasets Protein-protein and other molecular interactions RNA-binding protein database: Protein-protein and other molecular interactions Database of Interacting Proteins: Univ. of California: Protein-protein and other molecular interactions IntAct [21] EMBL-EBI: open-source database for molecular interactions
drug screening chemicals list of suppliers and catalog numbers "eMolecules". 8,000,000 [5] ENCS Japanese Existing and New Chemical Substances Inventory: regulated chemicals "ENCS (in Japanese)". Evaluated Kinetic Data IUPAC: rate constants curated "Evaluated Kinetic Data". FDA SRS Food and Drug Administration Substance Registration System
KEGG (Kyoto Encyclopedia of Genes and Genomes) is a collection of databases dealing with genomes, biological pathways, diseases, drugs, and chemical substances.KEGG is utilized for bioinformatics research and education, including data analysis in genomics, metagenomics, metabolomics and other omics studies, modeling and simulation in systems biology, and translational research in drug development.
Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014. [ 4 ] This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets.
The Biological General Repository for Interaction Datasets (BioGRID) is a curated biological database of protein-protein interactions, genetic interactions, chemical interactions, and post-translational modifications created in 2003 (originally referred to as simply the General Repository for Interaction Datasets (GRID) [2] by Mike Tyers, Bobby-Joe Breitkreutz, and Chris Stark at the Lunenfeld ...
A popular example of drug–food interaction is the effect of grapefruit on the metabolism of drugs. Interactions may occur by simultaneous targeting of receptors, directly or indirectly. For example, both Zolpidem and alcohol affect GABA A receptors, and their simultaneous consumption results in the overstimulation of the receptor, which can ...
The first Machine Learning model used on large datasets is the Substructure Analysis that was created in 1973. Each fragment substructure make a continuous contribution an activity of specific type. [1] Substructure is a method that overcomes the difficulty of massive dimensionality when it comes to analyzing structures in drug design.
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.