Browse Datasets
Sort by # Views, desc
Toxicity
The dataset includes 171 molecules designed for functional domains of a core clock protein, CRY1, responsible for generating circadian rhythm. 56 of the molecules are toxic and the rest are non-toxic.
Similarity Prediction
Molecular similarity assessments by expert chemists. Useful for the prediction of molecular similarity evaluations by humans.
Period Changer
The dataset includes 90 non-toxic molecules designed for functional domain of a core clock protein, CRY1, of which 27 molecules significantly lengthen the period of circadian rhythm and the rest, 63 molecules, are no changers.
Sirtuin6 Small Molecules
The dataset includes 100 molecules with 6 most relevant descriptors to determine the candidate inhibitors of a target protein, Sirtuin6. The molecules are grouped based on their low- and high-BFEs.
0 to 4 of 4