Bioinformatics, Genetics and Computational Biology

Substance information electronically submitted to PubChem by depositors.

Searchable database of unique, validated chemical structures (small molecules) Note that the PubChem compound records may link to more than one PubChem Substance record if different depositors supplied the same structure.

A database of molecular entities focused on ‘small’ chemical compounds. From EMBL-EBI

An open data resource of binding, functional and ADMET bioactivity data.

A database for Metabolomics experiments and derived information including metabolite structure and biological activity data.

The Compound-centric BioActivity service reports the available biological screening results for a single or a set of chemical samples drawn from PubChem.

The PubChem Power User Gateway (PUG) provides access to PubChem services via a programmatic interface.

Lets you see how PubChem would handle any structure you are considering submitting.

Search PubChem Compound by chemical structure or chemical structure pattern, including SMILES, SMARTS, InChI, Molecular Formula, or by uploading a supported structure file format.

Provides tools for identification of structure-activity relationships and the target selectivity and specificity of a compound.

Contains deposited bioactivity data and descriptions of bioactivity assays used to screen the chemical substances contained in the PubChem Substance database.