Publications by authors named "Gary Tom"

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Self-Driving Laboratories for Chemistry and Materials Science.
Gary Tom, Stefan P Schmid, Sterling G Baird, Yang Cao, Kourosh Darvish, Han Hao, Stanley Lo, Sergio Pablo-García, Ella M Rajaonson, Marta Skreta

August 2024

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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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SELFIES and the future of molecular string representations.
Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Gary Tom

Patterns (N Y)· October 2022

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Polymer Dots with Enhanced Photostability, Quantum Yield, and Two-Photon Cross-Section using Structurally Constrained Deep-Blue Fluorophores.
Don M Mayder, Christopher M Tonge, Giang D Nguyen, Michael V Tran, Gary Tom

J Am Chem Soc· October 2021

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