Other names: mmsinc
Database of commercially-available compounds for virtual screening and chemoinformatics
structure small molecule cheminformatics
100 million compounds for virtual screening
Adenosiland represents the first attempt of an integrated bioinformatics and chemoinformatics web-resource dedicated to adenosine receptors. This informatics platform provides a wide-ranging of struct ...
The ZINC Database contains commercially available compounds for structure based virtual screening. It currently has about 21 million compounds that can simply be purchased. It is provided in ready-to- ...
A platform for virtual screening and computer-aided drug designing.
ChemDB is a chemical database containing nearly 5M commercially available small molecules, important for use as synthetic building blocks, probes in systems biology and as leads for the discovery of d ...
An Unbiased Data Set for Machine Learning and Virtual Screening. 15 target sets, 9780 actives,and 407839 inactives from high-confidence PubChem Bioassay data. LIT-PCBA: A dataset for virtual screeni ...
A comprehensive database of toxic compounds
Microbial Volatile Organic Compounds
BitterDB is a free and searchable database of bitter compounds. Compounds can be searched by name, chemical structure, similarity to other bitter compounds, association with a particular human bitter ...
Database of flavors and scents
Database of plant protein inter-cultivar variability and function.
PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different t ...
Drug2Gene is a free multi-species drug-target knowledge base. It contains integrated and unified data of publicly available relations between drugs/compounds and their gene/protein targets gathered fr ...
RepeatsDB (http://repeatsdb.bio.unipd.it/) is a database of annotated tandem repeat protein structures. Tandem repeats pose a difficult problem for the analysis of protein structures, as the underlyin ...
MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation o ...
Database of compounds registered in the Open PHACTS platform, with structure similarity search. Look up chemical properties (SMILES).
Metagenomic BioMining Engine: homologs of commercially useful enzymes in metagenomic datasets
RESP and ESP atomic charges and force field libraries for small molecules and molecular fragments
Reframedb is a comprehensive open-access, drug repositioning screening set of 12,000 compounds that was assembled by combining three widely-used commercial drug competitive intelligence databases (Cla ...
Database which provides several ways to access to the grape genomic data: as a blast search page, a genome browser and a direct link to download the data.