Predicting toxicity of endocrine disruptors and blood–brain barrier permeability using chirality-sensitive descriptors and machine learning A Gomatam, B Joseph, U Gawde, K Raikuvar, E Coutinho Computational Toxicology 24, 100240, 2022 | 4 | 2022 |
Eigen Value ANalySis (EVANS)‒A Tool to Address Pharmacodynamic, Pharmacokinetic and Toxicity Issues: Proof of Concept Study on Pharmacodynamic Datasets B Joseph, AN Gomatam, MAS Shaikh, V Khedkar, EAF Martis, ... International Journal of Quantitative Structure-Property Relationships …, 2019 | 4 | 2019 |
How effective are ionization state-based QSPKR models at predicting pharmacokinetic parameters in humans? A Gomatam, B Joseph, P Advani, M Shaikh, K Iyer, E Coutinho Molecular Diversity 27 (4), 1675-1687, 2023 | 2 | 2023 |
In silico optimization of pharmacokinetic properties and receptor binding affinity simultaneously: a ‘parallel progression approach to drug design’applied to β-blockers P Advani, B Joseph, P Ambre, R Pissurlenkar, V Khedkar, K Iyer, S Gabhe, ... Journal of Biomolecular Structure and Dynamics 34 (2), 384-398, 2016 | 2 | 2016 |
Application of the “EigenValue Analysis (EVANS)” Methodology to Build Quantitative Structure Pharmacokinetic Relationship Models A Gomatam, B Joseph, MS Shaikh, P Advani, EC Coutinho | 1 | 2021 |
Flexibility of important HIV-1 targets and in silico design of anti-HIV drugs EAF Martis, B Joseph, SP Gupta, EC Coutinho, I Hdoufane, I Bjij, ... Current Chemical Biology 12 (1), 23-39, 2018 | 1 | 2018 |