Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based models
, Authors:
Gintautas Kamuntavičius, Tanya Paquet, Orestis Bastas, Dainius Šalkauskas, Alvaro Prat, Hisham Abdel Aty, Povilas Norvaišas, Roy Tal
Version 5 posted 17 April 2024
934
Downloads