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Gary Tom
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Journal Articles
- 2024
- [j2]Zeqing Bao, Gary Tom, Austin H. Cheng, Jeffrey Watchorn, Alán Aspuru-Guzik, Christine Allen:
Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learning. J. Cheminformatics 16(1): 117 (2024) - 2022
- [j1]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. Patterns 3(10): 100588 (2022)
Conference and Workshop Papers
- 2023
- [c2]Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton, Gary Tom, Bojana Rankovic, Arian Rokkum Jamasb, Aryan Deshwal, Julius Schwartz, Austin Tripp, Gregory Kell, Simon Frieder, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Johannes Peter Dürholt, Saudamini Chaurasia, Ji Won Park, Felix Strieth-Kalthoff, Alpha A. Lee, Bingqing Cheng, Alán Aspuru-Guzik, Philippe Schwaller, Jian Tang:
GAUCHE: A Library for Gaussian Processes in Chemistry. NeurIPS 2023 - [c1]AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik:
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design. NeurIPS 2023
Informal and Other Publications
- 2022
- [i3]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. CoRR abs/2204.00056 (2022) - [i2]AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik:
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design. CoRR abs/2209.12487 (2022) - [i1]Gary Tom, Riley J. Hickman, Aniket Zinzuwadia, Afshan Mohajeri, Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik:
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS. CoRR abs/2212.01574 (2022)
Coauthor Index
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