5 datasets found

The dataset used in this paper for rational design of reprogramming compounds - variators. The protocol used to identify promising candidates for the reprogramming of affinity...

The PDBbind v2018 dataset is a refined set of 4,186 protein-ligand complexes with their experimentally measured Kd values.

BindingDB is a database of experimentally determined protein-ligand binding affinities.

The dataset is used for compound-protein binding affinity prediction, and it contains 218,615 compound-protein pairs.

The Chembl database contains a large collection of bioactive molecules and their interactions with proteins.