Chemistry, Biochemistry, and Chemical & Biological Engineering Reference Guide
This Guide contains Chemistry and Chemical & Biological Engineering resources and information. Links below provide a starting place for your research project.
Chemistry and Chemical & Biological Engineering Datasets
Chemical structure and related data repositories. Be sure to check the individual resources for their data reuse policies and licensing terms before using the data in your research.
PubChem Substance, Compound, and BioAssay Data. There are over 300 million substances, 100 million compound, and almost 300 million bioactivites. Data is available in SDF, CSV, and more.
ChEMBL data focused on small molecules and related bioactivity data. There are over 2 million compound records, 1 million assays, and 11,000 targets. Data is available as SDF, SQL, and more.
re3data is the Registry of Research Data Repositories. It is a useful resource for finding appropriate data repositories to discover and share chemical data.