Dipankar Roy

Publication Activity (10 Years)

Years Active: 2019-2021
Publications (10 Years): 5

Top Topics

Classification Models

Theoretical Basis

Ensemble Classifier

Top Venues

J. Comput. Aided Mol. Des.

Publications

Dipankar Roy, Devjyoti Dutta, David S. Wishart, Andriy Kovalenko
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet? J. Comput. Aided Mol. Des. 35 (2) (2021)
Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds. J. Comput. Aided Mol. Des. 33 (6) (2019)
Vijaya Kumar Hinge, Nikolay Blinov, Dipankar Roy, David S. Wishart, Andriy Kovalenko
The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations. J. Comput. Aided Mol. Des. 33 (10) (2019)
Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors. J. Comput. Aided Mol. Des. 33 (11) (2019)
Dipankar Roy, Andriy Kovalenko
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent. J. Comput. Aided Mol. Des. 33 (10) (2019)