Andrew D. McNaughton

According to our database, Andrew D. McNaughton authored at least 5 papers between 2022 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data.

Jamie C. Overbeek, Alexander Partin, Thomas S. Brettin, Nicholas Chia, Oleksandr Narykov, Priyanka Vasanthakumari, Andreas Wilke, Yitan Zhu, Austin Clyde, Sara Jones, Rohan Gnanaolivu, Yuanhang Liu, Jun Jiang, Chen Wang, Carter Knutson, Andrew D. McNaughton, Neeraj Kumar, Gayara Demini Fernando, Souparno Ghosh, Cesar Sanchez-Villalobos, Ruibo Zhang, Ranadip Pal, M. Ryan Weil, Rick L. Stevens

CoRR, 2024

CACTUS: Chemistry Agent Connecting Tool-Usage to Science.

Andrew D. McNaughton, Gautham Ramalaxmi, Agustin Kruel, Carter R. Knutson, Rohith Anand Varikoti, Neeraj Kumar

CoRR, 2024

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., March, 2023

Scaffold-Based Multi-Objective Drug Candidate Optimization.

Agustin Kruel, Andrew D. McNaughton, Neeraj Kumar

CoRR, 2023

2022

De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning.

Andrew D. McNaughton, Mridula S. Bontha, Carter R. Knutson, Jenna A. Pope, Neeraj Kumar

CoRR, 2022