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Carter Knutson
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2020 – today
- 2024
- [i5]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) - [i4]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
- [j1]Andrew D. McNaughton
Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties. J. Chem. Inf. Model. 63(5): 1462-1471 (2023) - 2022
- [i3]Andrew D. McNaughton
De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning. CoRR abs/2205.10473 (2022) - [i2]Carter Knutson, Gihan Panapitiya, Rohith Anand Varikoti, Neeraj Kumar:
Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction. CoRR abs/2212.09991 (2022) - 2021
- [i1]Carter Knutson, Mridula Bontha, Jenna A. Bilbrey, Neeraj Kumar:
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks. CoRR abs/2111.15144 (2021)
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