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Morgan Thomas

6PUBLICATIONS
12CO-AUTHORS
CrystallographyChemical and thermal processes in energy and combustionReinforcement learningCheminformatics and quantitative structure-activity relationshipsOrganic chemical synthesis
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Journal

Publications (6)

Sort by Publication Date:
|May 19, 2026
3DOpt: Benchmark for Automated Design of 3D Molecular Structures across the Periodic Table.

|Dec 09, 2025
Test-Time Training Scaling Laws for Chemical Exploration in Drug Design.

Morgan Thomas, Albert Bou, Gianni De Fabritiis

|Nov 16, 2025
REINFORCE-ING Chemical Language Models for Drug Discovery.

Morgan Thomas, Albert Bou, Jose Carlos Gómez-Tamayo

|Jul 21, 2025
Synthesis and Inhibitory Assessment of ACE2 Inhibitors for SARS-CoV-2: An <i>In Silico</i> and <i>In Vitro</i> Study.

Xiaoyun Wang, Jieyu He, Layla Hosseini-Gerami

|Jul 01, 2021
Diversity-orientated synthesis of macrocyclic heterocycles using a double S<sub>N</sub>Ar approach.

Piotr Raubo, Rodrigo J Carbajo, William McCoull

|May 14, 2021
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.

Morgan Thomas, Robert T Smith, Noel M O'Boyle

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Frequent Collaborators

2 joint publications

Albert Bou

2 joint publications

Gianni De Fabritiis

1 joint publications

Piotr Raubo

1 joint publications

William McCoull

1 joint publications

Gianluca Destro

1 joint publications

Andreas Bender

1 joint publications

Véronique Gouverneur

1 joint publications

Gary Tresadern

1 joint publications

Mazen Ahmad

1 joint publications

Marcello Costamagna

Frequent Collaborators

2 joint publications

Albert Bou

2 joint publications

Gianni De Fabritiis

1 joint publications

Piotr Raubo

1 joint publications

William McCoull