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ORCIDMorgan C. Thomas
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2020 – today
- 2025
[j9]Morgan C. Thomas
, Albert Bou, José Carlos Gómez-Tamayo, Gary Tresadern, Mazen Ahmad, Gianni De Fabritiis:
REINFORCE-ING Chemical Language Models for Drug Discovery. J. Chem. Inf. Model. 65(23): 12752-12763 (2025)- [j8]Morgan C. Thomas, Albert Bou, Gianni De Fabritiis:
Test-Time Training Scaling Laws for Chemical Exploration in Drug Design. J. Chem. Inf. Model. 65(24): 13178-13186 (2025) - [i4]Morgan C. Thomas, Albert Bou, Gianni De Fabritiis:
REINFORCE-ING Chemical Language Models in Drug Design. CoRR abs/2501.15971 (2025) - [i3]Morgan C. Thomas, Albert Bou, Gianni De Fabritiis:
Test-Time Training Scaling for Chemical Exploration in Drug Design. CoRR abs/2501.19153 (2025) - 2024
- [j7]Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf:
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design. J. Cheminformatics 16(1): 64 (2024) - [j6]Morgan C. Thomas, Mazen Ahmad, Gary Tresadern, Gianni De Fabritiis:
PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models. J. Cheminformatics 16(1): 77 (2024) - [j5]Albert Bou, Morgan C. Thomas, Sebastian Dittert, Carles Navarro, Maciej Majewski, Ye Wang, Shivam Patel, Gary Tresadern, Mazen Ahmad, Vincent Moens, Woody Sherman, Simone Sciabola, Gianni De Fabritiis:
ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery. J. Chem. Inf. Model. 64(15): 5900-5911 (2024) - [j4]Sonja Peter, Lydia Siragusa, Morgan C. Thomas, Tommaso Palomba, Simon Cross, Noel M. O'Boyle, Dávid Bajusz, György G. Ferenczy, György M. Keserü, Giovanni Bottegoni, Brian Joseph Bender, I-Jen Chen, Chris de Graaf:
Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential. J. Chem. Inf. Model. 64(21): 8176-8192 (2024) - [i2]Albert Bou, Morgan C. Thomas, Sebastian Dittert, Carles Navarro Ramírez, Maciej Majewski, Ye Wang, Shivam Patel, Gary Tresadern, Mazen Ahmad, Vincent Moens, Woody Sherman, Simone Sciabola, Gianni De Fabritiis:
ACEGEN: Reinforcement learning of generative chemical agents for drug discovery. CoRR abs/2405.04657 (2024) - 2023
- [j3]Koichi Handa, Morgan C. Thomas, Michiharu Kageyama, Takeshi Iijima, Andreas Bender:
On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data. J. Cheminformatics 15(1): 112 (2023) - 2022
- [j2]Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf:
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation. J. Cheminformatics 14(1): 68 (2022) - [i1]Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf:
Re-evaluating sample efficiency in de novo molecule generation. CoRR abs/2212.01385 (2022) - 2021
- [j1]Morgan C. Thomas, Robert T. Smith, Noel M. O'Boyle, Chris de Graaf, Andreas Bender:
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study. J. Cheminformatics 13(1): 39 (2021)
Coauthor Index
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