Andrew D. McNaughton

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 4

Top Topics

Learning Models

Stainless Steel

Candidate Solutions

Top Venues

J. Chem. Inf. Model.

Publications

Andrew D. McNaughton, Gautham Ramalaxmi, Agustin Kruel, Carter R. Knutson, Rohith Anand Varikoti, Neeraj Kumar
CACTUS: Chemistry Agent Connecting Tool-Usage to Science. CoRR (2024)
Agustin Kruel, Andrew D. McNaughton, Neeraj Kumar
Scaffold-Based Multi-Objective Drug Candidate Optimization. CoRR (2023)
Andrew D. McNaughton, Rajendra P. Joshi, Carter R. Knutson, Fnu Anubhav, Kevin J. Luebke, Jeremiah P. Malerich, Peter B. Madrid, Neeraj Kumar
Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties. J. Chem. Inf. Model. 63 (5) (2023)
Andrew D. McNaughton, Mridula S. Bontha, Carter R. Knutson, Jenna A. Pope, Neeraj Kumar
De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning. CoRR (2022)