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Boron-Nitrogen Doped Dihydroindeno[1,2-b]fluorene Derivatives as Acceptors in Organic Solar Cells

Matthew Morgan, Maryam Nazari, Thomas Pickl, J. Mikko Rautiainen, Heikki M. Tuononen, Warren Piers, Gregory C. Welch, Benjamin S. Gelfand

Version 1 posted 01 July 2019

618

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Biological and Medicinal Chemistry

Working Paper

MolScore: A scoring and evaluation framework for de novo drug design

Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

Version 2 posted 05 March 2024

994

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Biological and Medicinal Chemistry

Working Paper

Modern hit-finding with structure-guided de novo design: identification of novel nanomolar adenosine A2A receptor ligands using reinforcement learning

Morgan Thomas, Pierre G. Matricon, Robert J. Gillespie, Maja Napiórkowska, Hannah Neale, Jonathan S. Mason, Jason Brown, Charlotte Fieldhouse, Nigel A. Swain, Tian Geng, Noel M. O'Boyle, Francesca Deflorian, Andreas Bender, Chris de Graaf

Version 2 posted 22 October 2024

753

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Biological and Medicinal Chemistry

Working Paper

PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models

Morgan Thomas, Mazen Ahmad, Gary Tresadern, Gianni de Fabritiis

Version 1 posted 06 March 2024

724

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1

Citations

Materials Chemistry

Working Paper

Efficient Exploration of Highly Conductive Pyrrolidinium-based Ionic Plastic Crystals Using Materials Informatics

Takuto Ootahara, Kan Hatakeyama-Sato, Morgan L. Thomas, Yuko Takeoka, Masahiro Rikukawa, Masahiro Yoshizawa-Fujita

Version 3 posted 13 May 2024

330

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Theoretical and Computational Chemistry

Working Paper

On The Difficulty of Validating Molecular Generative Models Realistically: A Case Study on Public and Proprietary Data

Koichi Handa, Morgan Thomas, Michiharu Kageyama, Takeshi Iijima, Andreas Bender

Version 2 posted 20 November 2023

724

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Theoretical and Computational Chemistry

Working Paper

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

Version 1 posted 15 April 2022

523

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1

Citations

Physical Chemistry

Working Paper

Making the invisible visible: fast magic-angle-spinning NMR reveals the evasive hepatitis B virus capsid functional C-terminal domain

Morgane Callon, Alexander A Malär, Lauriane Lecoq, Marie Dujardin, Marie-Laure Fogeron, Shishan Wang, Maarten Schledorn, Thomas Bauer, Michael Nassal, Anja Böckmann, Beat H Meier

Version 1 posted 05 January 2022

292

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Materials Chemistry

Working Paper

Multicolour dual-emission Photoluminescent Carbon Dots à la carte for biomedical applications

Teodoro Garcia-Millan, Javier Ramos-Soriano, Mattia Ghirardello, Robert L. Harniman, Xia Liu, David J. Morgan, Stephen Hughes, Sean A. Davis, Thomas A.A. Oliver, Kathreena M. Kurian, M Carmen Galan

Version 1 posted 22 March 2023

167

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Theoretical and Computational Chemistry

Working Paper

Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study

Morgan Thomas, Rob Smith, Noel M. O’Boyle, Chris de Graaf, Andreas Bender

Version 1 posted 02 March 2021

948

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Refine Search

12 results in Morgan Thomas in Authors: Morgan Thomas

Boron-Nitrogen Doped Dihydroindeno[1,2-b]fluorene Derivatives as Acceptors in Organic Solar Cells

MolScore: A scoring and evaluation framework for de novo drug design

Modern hit-finding with structure-guided de novo design: identification of novel nanomolar adenosine A2A receptor ligands using reinforcement learning

PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models

Efficient Exploration of Highly Conductive Pyrrolidinium-based Ionic Plastic Crystals Using Materials Informatics

On The Difficulty of Validating Molecular Generative Models Realistically: A Case Study on Public and Proprietary Data

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

Making the invisible visible: fast magic-angle-spinning NMR reveals the evasive hepatitis B virus capsid functional C-terminal domain

Multicolour dual-emission Photoluminescent Carbon Dots à la carte for biomedical applications

Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study

12 results in Authors: Morgan Thomas