Artificial Intelligence based Autonomous Molecular Design for Medical Therapeutic: A Perspective. - Rajendra P. Joshi; Neeraj Kumar (CoRR, 2021)

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. - Rajendra P. Joshi; Katherine J. Schultz; Jesse William Wilson; Agustin Kruel; Rohith Anand Varikoti; Chathuri J. Kombala; Daniel W. Kneller; Stephanie Galanie; Gwyndalyn Phillips; Qiu Zhang; Leighton Coates; Jyothi Parvathareddy; et al. (J. Chem. Inf. Model., 2023)

Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties. - Andrew D. McNaughton; Rajendra P. Joshi; Carter R. Knutson; Fnu Anubhav; Kevin J. Luebke; Jeremiah P. Malerich; Peter B. Madrid; Neeraj Kumar (J. Chem. Inf. Model., 2023)