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Gary Tom

Vector Institute for Artificial Intelligence

15H-index
54Paper Count
1.1KCitation Count
Published Papers 18
Publication Date
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Quantitative prediction of siRNA complexation by ionizable drugs enables their codelivery in nanoparticles
errScience Advances
IF12.5
err2026-06-12
err0
errOAAI
errKai V. Slaughter; Mickael Dang; Eric N. Donders; Austin H. Cheng; Gary Tom; Xiang Olivia Li; Sangwoo Han; Eric S. Y. Chiu; Olivia Roland; Alán Aspuru-Guzik; Molly S. Shoichet
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MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation
errNature Computational Science
IF18.3
err2025-12-31
err0
PREAI
errKourosh Darvish; Arjun Sohal; Abhijoy Mandal; Hatem Fakhruldeen; Nikola Radulov; Zhengxue Zhou; Satheeshkumar Veeramani; Joshua Choi; Sijie Han; Brayden Zhang; Jeeyeoun Chae; Alex Wright; Yijie Wang; Hossein Darvish; Yuchi Zhao; Gary Tom; Han Hao; Miroslav Bogdanovic; Gabriella Pizzuto; Andrew I. Cooper; Alán Aspuru Guzik; Florian Shkurti; Animesh Garg
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errSave
Stereochemistry-aware string-based molecular generation
errPNAS NEXUS
IF3.8
err2025-11-01
err0
errOAAI
errTom, Gary; Yu, Edwin; Yoshikawa, Naruki; Jorner, Kjell; Aspuru-Guzik, Alan
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errSave
Does this smell the same? Learning representations of olfactory mixtures using inductive biases
errMachine Learning: Science and Technology
IF0
err2025-09-23
err0
errOAAI
errGary Tom; Cher Tian Ser; Ella M Rajaonson; Stanley Lo; Hyun Suk Park; Brian K Lee; Benjamin Sanchez-Lengeling
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errSave
Anubis: Bayesian optimization with unknown feasibility constraints for scientific experimentation
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errRiley J. Hickman; Gary Tom; Yunheng Zou; Matteo Aldeghi ‡; Alán Aspuru-Guzik
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errSave
El Agente: An autonomous agent for quantum chemistry
errMatter
IF17.5
err2025-07-02
err0
PREAI
errYunheng Zou; Austin H. Cheng; Abdulrahman Aldossary; Jiaru Bai; Shi Xuan Leong; Jorge Arturo Campos-Gonzalez-Angulo; Changhyeok Choi; Cher Tian Ser; Gary Tom; Andrew Wang; Zijian Zhang; Ilya Yakavets; Han Hao; Chris Crebolder; Varinia Bernales; Alán Aspuru-Guzik
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errSave
Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learning
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-10-28
err1
errOAAI
errBao, Zeqing; Tom, Gary; Cheng, Austin; Watchorn, Jeffrey; Aspuru-Guzik, Alan; Allen, Christine
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errSave
Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-15
err1
errOAAI
errCrivelli-Decker, Jordan E.; Beckwith, Zane; Tom, Gary; Le, Ly; Khuttan, Sheenam; Salomon-Ferrer, Romelia; Beall, Jackson; Gomez-Bombarelli, Rafael; Bortolato, Andrea
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errSave
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
errADVANCED MATERIALS
IF26.8
err2024-05-25
err6
PREAI
errAldossary, Abdulrahman; Campos-Gonzalez-Angulo, Jorge Arturo; Pablo-Garcia, Sergio; Leong, Shi Xuan; Rajaonson, Ella Miray; Thiede, Luca; Tom, Gary; Wang, Andrew; Avagliano, Davide; Aspuru-Guzik, Alan
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errSave
Beyond molecular structure: critically assessing machine learning for designing organic photovoltaic materials and devices
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err3
errOAAI
errSeifrid, Martin; Lo, Stanley; Choi, Dylan G.; Tom, Gary; Le, My Linh; Li, Kunyu; Sankar, Rahul; Vuong, Hoai-Thanh; Wakidi, Hiba; Yi, Ahra; Zhu, Ziyue; Schopp, Nora; Peng, Aaron; Luginbuhl, Benjamin R.; Nguyen, Thuc-Quyen; Aspuru-Guzik, Alan
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errSave
Atlas: a brain for self-driving laboratories
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errHickman, Riley J.; Sim, Malcolm; Pablo-Garcia, Sergio; Tom, Gary; Woolhouse, Ivan; Hao, Han; Bao, Zeqing; Bannigan, Pauric; Allen, Christine; Aldeghi, Matteo; Aspuru-Guzik, Alan
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errSave
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err15
errOAAI
errTom, Gary; Hickman, Riley J.; Zinzuwadia, Aniket; Mohajeri, Afshan; Sanchez-Lengeling, Benjamin; Aspuru-Guzik, Alan
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errSave
Smallmolecule binding to surface-supported single-site transition-metal reaction centres
errNATURE COMMUNICATIONS
IF15.7
err2022-12-01
err6
errOAAI
errDeJong, M.; Price, A. J. A.; Marsell, E.; Tom, G.; Nguyen, G. D.; Johnson, E. R.; Burke, S. A.
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errSave
SELFIES and the future of molecular string representations
errPATTERNS
IF7.4
err2022-10-01
err80
errOAAI
errKrenn, Mario; Ai, Qianxiang; Barthel, Senja; Carson, Nessa; Frei, Angelo; Frey, Nathan C.; Friederich, Pascal; Gaudin, Theophile; Gayle, Alberto Alexander; Jablonka, Kevin Maik; Lameiro, Rafael F.; Lemm, Dominik; Lo, Alston; Moosavi, Seyed Mohamad; Napoles-Duarte, Jose Manuel; Nigam, AkshatKumar; Pollice, Robert; Rajan, Kohulan; Schatzschneider, Ulrich; Schwaller, Philippe; Skreta, Marta; Smit, Berend; Strieth-Kalthoff, Felix; Sun, Chong; Tom, Gary; von Rudorff, Guido Falk; Wang, Andrew; White, Andrew D.; Young, Adamo; Yu, Rose; Aspuru-Guzik, Alan
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Design of High-Performance Thermally Activated Delayed Fluorescence Emitters Containing s-Triazine and s-Heptazine with Molecular Orbital Visualization by STM
errCHEMISTRY OF MATERIALS
IF7
err2022-03-11
err20
PREAI
errMayder, Don M.; Tonge, Christopher M.; Nguyen, Giang D.; Hojo, Ryoga; Paisley, Nathan R.; Yu, Jiabin; Tom, Gary; Burke, Sarah A.; Hudson, Zachary M.
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errSave
Polymer Dots with Enhanced Photostability, Quantum Yield, and Two-Photon Cross-Section using Structurally Constrained Deep-Blue Fluorophores
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-10-07
err31
PREAI
errMayder, Don M.; Tonge, Christopher M.; Nguyen, Giang D.; Tran, Michael, V; Tom, Gary; Darwish, Ghinwa H.; Gupta, Rupsa; Lix, Kelsi; Kamal, Saeid; Algar, W. Russ; Burke, Sarah A.; Hudson, Zachary M.
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errSave
Room temperature strain-induced Landau levels in graphene on a wafer-scale platform
errSCIENCE ADVANCES
IF12.5
err2019-11-01
err78
errOAAI
errNigge, P.; Qu, A. C.; Lantagne-Hurtubise, E.; Marsell, E.; Link, S.; Tom, G.; Zonno, M.; Michiardi, M.; Schneider, M.; Zhdanovich, S.; Levy, G.; Starke, U.; Gutierrez, C.; Bonn, D.; Burke, S. A.; Franz, M.; Damascelli, A.
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Molecularly Resolved Electronic Landscapes of Differing-Acceptor-Donor Interface Geometries
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-03-30
err14
errOAAI
errCochrane, Katherine A.; Roussy, Tanya S.; Yuan, Bingkai; Tom, Gary; Marsell, Erik; Burke, Sarah A.
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
A
Andrew I. Cooper
H-index: 134 · Papers: 833
B
Berend Smit
H-index: 121 · Papers: 794
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 932
T
Thuc‐Quyen Nguyen
H-index: 96 · Papers: 430
M
Molly S. Shoichet
H-index: 96 · Papers: 394
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