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ORCIDAndrew D. McNaughton
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Journal Articles
- 2023
[j1]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): 1462-1471 (2023)
Informal and Other Publications
- 2024
- [i4]Andrew D. McNaughton, Gautham Ramalaxmi, Agustin Kruel, Carter R. Knutson, Rohith Anand Varikoti, Neeraj Kumar:
CACTUS: Chemistry Agent Connecting Tool-Usage to Science. CoRR abs/2405.00972 (2024) - [i3]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:
Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data. CoRR abs/2409.12215 (2024) - 2023
- [i2]Agustin Kruel, Andrew D. McNaughton, Neeraj Kumar:
Scaffold-Based Multi-Objective Drug Candidate Optimization. CoRR abs/2301.07175 (2023) - 2022
- [i1]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 abs/2205.10473 (2022)
Coauthor Index
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