Sandeepkumar Kothiwale

BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library

Sandeepkumar Kothiwale, Jeffrey Mendenhall, Jens Meiler · Journal of Cheminformatics · 2015 · 137 citations · Full text

External Validation of the Oakland Score to Assess Safe Hospital Discharge Among Adult Patients With Acute Lower Gastrointestinal Bleeding in the US

Kathryn Oakland, Sandeepkumar Kothiwale, Tyler Forehand et al. · JAMA Network Open · 2020 · 64 citations · Full text

Comparative evaluation of spectroscopic models using different multivariate statistical tools in a multicancer scenario

Avinash Ghanate, Sandeepkumar Kothiwale, Surya Pratap Singh et al. · Journal of Biomedical Optics · 2011 · 58 citations · Full text

Engineering, Pathology, Light Scattering Spectroscopy +20

BCL::Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database

Jeffrey Mendenhall, Benjamin P. Brown, Sandeepkumar Kothiwale et al. · Journal of Chemical Information and Modeling · 2020 · 43 citations · Full text

Crystal Structure, Csd Conformer Generator, Structural Bioinformatics +18

Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery

Benjamin P. Brown, Oanh Vu, Alexander R. Geanes et al. · Frontiers in Pharmacology · 2022 · 24 citations · Full text

Drug Target, Hit Identification, Machine Learning +17