Accurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning

29 September 2022

Papers citing "Accurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning"

3 / 3 papers shown

Title
Accelerating high-throughput virtual screening through molecular pool-based active learning David E. Graff E. Shakhnovich Connor W. Coley 76 139 0 13 Dec 2020
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 154 1,748 0 02 Mar 2017
Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning Y. Gal Zoubin Ghahramani UQCV BDL 247 9,042 0 06 Jun 2015