Publications by authors named "G Tom"

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Stereochemistry-aware string-based molecular generation.
Gary Tom, Edwin Yu, Naruki Yoshikawa, Kjell Jorner, Alán Aspuru-Guzik

PNAS Nexus· November 2025

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Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learning.
Zeqing Bao, Gary Tom, Austin Cheng, Jeffrey Watchorn, Alán Aspuru-Guzik

J Cheminform· October 2024

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Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening.
Jordan E Crivelli-Decker, Zane Beckwith, Gary Tom, Ly Le, Sheenam Khuttan

J Chem Theory Comput· August 2024

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In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back.
Abdulrahman Aldossary, Jorge Arturo Campos-Gonzalez-Angulo, Sergio Pablo-García, Shi Xuan Leong, Ella Miray Rajaonson, Gary Tom

Adv Mater· July 2024

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