A comparison of molecular representations for lipophilicity quantitative structure-property relationships with results from the SAMPL6 logP Prediction Challenge. [electronic resource]
- Journal of computer-aided molecular design 05 2020
- 523-534 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural
1573-4951
10.1007/s10822-020-00279-0 doi
Models, Chemical Protein Kinase Inhibitors--chemistry Protein Kinases--chemistry Quantitative Structure-Activity Relationship Solubility Water--chemistry