Database of Chemical Constitutents of Smokeless Tobacco Products.
cheminformatics toxicology compound libraries and screening
Dynamic Retention Time Database for Steroidomics.
The Brazilian Compound Library (BraCoLi) a repository of chemical and biological information for drug design.
A Crowd-Sourced, Natural Product Screening Library for Exploring Biological Space.
IDSM is an integrated database of small molecules.
ZINClick is a virtual combinatorial database of over 16 million of 1,4-disubstituted-1,2,3-triazoles (Molecular Weight < 1000), each can be easily synthesized and it is at the same time new and patent ...
COlleCtion of Open Natural prodUcTs (COCONUT): an aggregated dataset of elucidated and predicted NPs collected from open sources and a web interface to browse, search and easily and quickly download n ...
A natural products likeness scorer-web application and database | NaPLeS - Natural Product Likeness Score calculator | NaPLeS is an open source web application based fully on open data. Source and ins ...
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 ...
The Ontology of Chemical Elements (OCE) is a community-based ontology in the domain of chemical elements. OCE systematically represents and annotates the known 118 chemical elements and their characti ...
IPPI-DB is a database of modulators of protein-protein interactions. It contains exclusively small molecules and therefore no peptides. The data are retrieved from the literature either peer reviewed ...
MDL reaction Format is used to describe the kinetics of chemical reactions and the chemical structure of the reactants and products.
DRSC Functional Genomics Resources (DRSC-FGR) began as the Drosophila RNAi Screening Center (DRSC), founded by Prof. Norbert Perrimon in 2003, and the Transgenic RNAi Project (TRiP), founded by Prof. ...
An Open Access Knowledge Base for Microbial Natural Products Discovery. The Natural Products Atlas Network views of chemical space. The Natural Products Atlas provides a unique tools for exploring n ...
The Chemical Component Dictionary is an external reference file describing all residue and small molecule components found in Protein Data Bank entries. It contains detailed chemical descriptions for ...
Enzyme Reaction Ontology for annotating Partial Information of chemical transformation
Material Compound details from SWEET ontology
The mission of the platform is to enable access for academic projects towards experiments in high-throughput without loss of IP and on a cost basis, which does not restrict access towards HTS usage. T ...
The IUPAC Gold Book is a database of ~7000 chemical concepts derived from IUPAC's Recommendations published in Pure and Applied Chemistry.
The Chemical Information Ontology (CHEMINF) aims to establish a standard in representing chemical information. In particular, it aims to produce an ontology to represent chemical structure and to rich ...
PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay. PubChem also provides a fast ...