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API, Data mapping: Web application within CDD Vault to connect data through an API, Parser, and Mapping Tools. CDD Public [15] Chemical database: Free database also integrated within CDD Vault for fostering open collaboration containing over 3 million molecules accessible to everyone in the drug discovery community.
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.
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.
TDR Targets: a chemogenomics database focused on drug discovery in tropical diseases; TRANSFAC: a database about eukaryotic transcription factors, their genomic binding sites and DNA-binding profiles; JASPAR: a database of manually curated, non-redundant transcription factor binding profiles.
OpenFDA is a project indexing and formatting Food and Drug Administration (FDA) data, and making it accessible to the public. The ultimate goal of enabling the data accessibility is to educate people and save lives. The currently provided API of accessing data is under beta version. The project is open source and the code is available from GitHub.
This greatly expanded and improved version of the database included 1344 approved small molecule drugs and 123 biotech drugs as well as 3037 unique drug targets. Version 2.0 also included, for the first time, withdrawn drugs and illicit drugs , extensive food-drug and drug-drug interactions as well as ADMET (absorption, distribution, metabolism ...
PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded via FTP. PubChem contains multiple substance descriptions and small molecules with fewer than 100 atoms and 1,000 bonds. More than 80 database vendors contribute to the growing PubChem database. [2]
Therapeutic Target Database (TTD) is a pharmaceutical and medical repository [1] constructed by the Innovative Drug Research and Bioinformatics Group (IDRB) at Zhejiang University, China and the Bioinformatics and Drug Design Group at the National University of Singapore.