COMP Resources
Databases and Data Sources
Binding Database - database of measured binding affinities for biomolecules, genetically or chemically modified biomolecules, and synthetic compounds
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.
QSAR and Modelling Society Data Sets
QSAR World - web-based portal for the Quantitative Structure Activity Relationship modeling community. Includes 48 searchable datasets.
ZINC - free database of commercially-available compounds for virtual screening
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