COMP Resources
Databases and Data Sources

Binding Database - database of measured binding affinities for biomolecules, genetically or chemically modified biomolecules, and synthetic compounds

Cambridge Structure Database

Centre for Molecular and Biomolecular Informatics

Computational Chemistry Comparison and Benchmark DataBase

Distributed Structure-Searchable Toxicity (DSSTox) Public Database Network - standard format, structure-annotated chemical toxicity data files for open public access

Inorganic Crystal Structure Database

National Cancer Institute Database Browser

PGM Database - physical, mechanical and chemical data for the platinum group metals (platinum, palladium, rhodium, iridium, osmium and ruthenium) and their alloys.

Protein structures at NIH

QSAR and Modelling Society Data Sets

QSAR World - web-based portal for the Quantitative Structure Activity Relationship modeling community. Includes 48 searchable datasets.

The QSAR World data sets

ZINC - free database of commercially-available compounds for virtual screening

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