Combining Artificial Intelligence and Human Expertise in Pursuit of Novel PolQ Inhibitors

Συγγραφείς: Ageo Miccoli, Annabelle Charnock, Alexis Denis, Euan Fordyce, Cameron Franklin, Ennys Gheyouche, Ian Henderson, Christopher Housseman, Allan Jordan, Maxime Laugeois, Jean-Christophe Meillon, Stuart Onions, Quentin Perron, Clémentine Pescheteau, Emilie Pihan, Mark Reeves, Kirsty Rooney, Hannah Rowlands, Nicole Scally, Christopher Sleigh, Kamaldeep Sumal, Franck Le Vaillant, Graeme Walker

Πηγή: ACS Omega, Vol 11, Iss 29, Pp 43300-43308 (2026)

Θεματικοί όροι: Chemistry, QD1-999

Περιγραφή αρχείου: electronic resource

Relation: https://doaj.org/toc/2470-1343

Σύνδεσμος πρόσβασης: https://doaj.org/article/59576538596641cbbcfa31352688cd25

Integrating synthetic accessibility with AI-based generative drug design

Συγγραφείς: Maud Parrot, Hamza Tajmouati, Vinicius Barros Ribeiro da Silva, Brian Ross Atwood, Robin Fourcade, Yann Gaston-Mathé, Nicolas Do Huu, Quentin Perron

Πηγή: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-17 (2023)

Θεματικοί όροι: In-silico synthesizability, Retrosynthesis artificial intelligence, machine learning, In silico molecular generation, Information technology, T58.5-58.64, Chemistry, QD1-999

Περιγραφή αρχείου: electronic resource

Relation: https://doaj.org/toc/1758-2946

Σύνδεσμος πρόσβασης: https://doaj.org/article/c00070d8eba741aeb536bbb3910125d4

Thinking outside the library: cluster synthesis of diverse molecules on a single robotic platform

Συγγραφείς: Franck Le Vaillant, Luidgi Gromat, Clémentine Pescheteau, Nicolas Ducrot, Aurélien Demilly, Jean-Christophe Meillon, Nicolas Do Huu, Quentin Perron

Πηγή: Chem Sci

Θεματικοί όροι: Chemistry

Σύνδεσμος πρόσβασης: https://pubmed.ncbi.nlm.nih.gov/41403463
https://pubmed.ncbi.nlm.nih.gov/41403463/
https://pmc.ncbi.nlm.nih.gov/articles/PMC12705215/
https://doi.org/10.1039/d5sc07668d

Growing and linking optimizers: synthesis-driven molecule design

Συγγραφείς: Clarisse Descamps, Vincent Bouttier, Juan Sanz García, Maoussi Lhuillier-Akakpo, Quentin Perron, Hamza Tajmouati

Πηγή: Brief Bioinform

Θεματικοί όροι: Models, Molecular, Drug Design, Drug Discovery, Problem Solving Protocol, Algorithms

Σύνδεσμος πρόσβασης: https://pubmed.ncbi.nlm.nih.gov/40991327
https://pubmed.ncbi.nlm.nih.gov/40991327/
https://doi.org/10.1093/bib/bbaf482
https://pmc.ncbi.nlm.nih.gov/articles/PMC12459256/

Overcoming DMTA Cycle Challenges: A Unified AI-Driven System for Efficient Drug Design

Συγγραφείς: Matthew Medcalf, Varsha Jain, Stefani Gamboa, Brian Atwood, Maoussi Lhuillier-Akakpo, Victoire Cachoux, Franck Levaillant, Jean-Christophe Meillon, Clémentine Pescheteau, Quentin Perron

Overcoming DMTA Cycle Challenges: A Unified AI-Driven System for Efficient Drug Design

Συγγραφείς: Matthew Medcalf, Varsha Jain, Stefani Gamboa, Brian Atwood, Maoussi Lhuillier-Akakpo, Victoire Cachoux, Quentin Perron

Predicting the Price of Molecules Using Their Predicted Synthetic Pathways**

Συγγραφείς: Massina Abderrahmane, Hamza Tajmouati, Vinicius Barros Ribeiro da Silva, Quentin Perron

Πηγή: Molecular Informatics. 44

Θεματικοί όροι: Deep Learning, Quantitative Structure-Activity Relationship

Σύνδεσμος πρόσβασης: https://pubmed.ncbi.nlm.nih.gov/39887833

Deep Generative Models for Ligand-based de Novo Design Applied to Multi-parametric Optimization

Συγγραφείς: Quentin Perron, Olivier Mirguet, Hamza Tajmouati, Adam Skiredj, Anne Rojas, Arnaud Gohier, Pierre Ducrot, Marie-Pierre Bourguignon, Patricia Sansilvestri-Morel, Nicolas Do Huu, Françoise Gellibert, Yann Gaston-Mathé

Πηγή: Journal of Computational Chemistry. 43:692-703

Θεματικοί όροι: 0301 basic medicine, 0303 health sciences, 03 medical and health sciences, Drug Design, Drug Discovery, Ligands, Algorithms, 3. Good health

Σύνδεσμος πρόσβασης: https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c75474ee301c440dc7af7f/original/deep-generative-models-for-ligand-based-de-novo-design-applied-to-multi-parametric-optimization.pdf
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c75433842e650411db40eb/original/deep-generative-models-for-ligand-based-de-novo-design-applied-to-multi-parametric-optimization.pdf
https://pubmed.ncbi.nlm.nih.gov/35218219

Key points to succeed in Artificial Intelligence drug discovery projects

Συγγραφείς: Quentin Perron, Vinicius Barros Ribeiro da Silva, Brian Atwood, Yann Gaston-Mathé

Πηγή: Chemistry International. 44:19-21

Θεματικοί όροι: 0301 basic medicine, 0303 health sciences, 03 medical and health sciences, 3. Good health

Σύνδεσμος πρόσβασης: https://www.degruyter.com/document/doi/10.1515/ci-2022-0106/pdf

Author response for 'Thinking Outside the Library: Cluster Synthesis of Diverse Molecules on a Single Robotic Platform'

Συγγραφείς: null Franck Le Vaillant, null Luidgi Gromat, null Clémentine Pescheteau, null Nicolas Ducrot, null Aurélien Demilly, null Jean-Christophe Meillon, null Nicolas Do Huu, null Quentin Perron

Abstract 4191: Combining artificial intelligence and human expertise in pursuit of novel PolQ inhibitors

Συγγραφείς: Allan M. Jordan, Ageo Miccoli, Annabelle Charnock, Alexis Denis, Euan Fordyce, Cameron Franklin, Ennys Gheyouche, Ian Henderson, Christopher Housseman, Maxime Laugeois, Jean-Christophe Meillon, Stuart Onions, Quentin Perron, Clementine Pescheteau, Emilie Pihan, Mark Reeves, Kirsty Rooney, Hannah Rowlands, Kamaldeep Sumal, Franck Le Vaillant, Graeme Walker

Πηγή: Cancer Research. 85:4191-4191

Interpreting quantitative structure-activity relationship models to guide drug discovery

Συγγραφείς: Quentin Perron, Nicolas Drizard, Vinicius Barros, Stéphanie Labouille, Christopher Housseman, Joseph-André Turk, Doron Israel, Rohit Arora

Integrating Synthetic Accessibility with AI-based Generative Drug Design

Συγγραφείς: Maud Parrot, Hamza Tajmouati, Vinicius Barros Ribeiro da Silva, Brian Ross Atwood, Robin Fourcade, Yann Gaston-Mathé, Nicolas Do Huu, Quentin Perron

Πηγή: J Cheminform
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-17 (2023)

Θεματικοί όροι: 0301 basic medicine, Chemistry, 0303 health sciences, 03 medical and health sciences, machine learning, Research, In-silico synthesizability, Information technology, T58.5-58.64, QD1-999, In silico molecular generation, Retrosynthesis artificial intelligence

Σύνδεσμος πρόσβασης: https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/61c19ee67f367e034f5adb11/original/integrating-synthetic-accessibility-with-ai-based-generative-drug-design.pdf
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/61bc6cfaf52bc4618cc42c65/original/integrating-synthetic-accessibility-with-ai-based-generative-drug-design.pdf
https://pubmed.ncbi.nlm.nih.gov/37726842
https://doaj.org/article/c00070d8eba741aeb536bbb3910125d4

Makya: AI-driven de novo drug design platform focused on multi-parametric optimization

Συγγραφείς: Quentin Perron, Nicolas Drizard, Philippe Gendreau, Arora Rohit

Discovery of novel inhibitors of PIM1-kinase enabled by generative artificial intelligence

Συγγραφείς: sautet stephane, Alexis Denis, Anthony Martinez, Quentin Janet, Pascaline Jacquemard, Yann Lamotte, Nicolas Devaux, Maud Jusot, Anna Kriukova, Quentin Perron, Christopher Housseman, Brice Hoffmann, Arora Rohit

Se‐Phenyl Prop‐2‐eneselenoate: An Ethylene Equivalent for Diels–Alder Reactions

Συγγραφείς: Michael E, Jung, Felix, Perez, Collin F, Regan, Sung Wook, Yi, Quentin, Perron

Πηγή: Angewandte Chemie International Edition. 52:2060-2062

Θεματικοί όροι: Bridged Bicyclo Compounds, Selenium, Cycloaddition Reaction, Free Radicals, Organoselenium Compounds, Alkenes, Ethylenes, 01 natural sciences, 0104 chemical sciences

Σύνδεσμος πρόσβασης: https://pubmed.ncbi.nlm.nih.gov/23315953

ChemInform Abstract: Se‐Phenyl Prop‐2‐eneselenoate: An Ethylene Equivalent for Diels—Alder Reactions

Συγγραφείς: Michael E. Jung, Felix Perez, Collin F. Regan, Sung Wook Yi, Quentin Perron

Πηγή: ChemInform. 44

Θεματικοί όροι: 01 natural sciences, 0104 chemical sciences

ChemInform Abstract: Copper‐Catalyzed Asymmetric Addition of Diethylzinc to Boc‐Protected Imines

Συγγραφείς: Quentin Perron, Alexandre Alexakis

Πηγή: ChemInform. 40

Θεματικοί όροι: 01 natural sciences, 0104 chemical sciences

ChemInform Abstract: Synthesis and Application of a New Pseudo C2‐Symmetric Tertiary Diamine for the Enantioselective Addition of MeLi to Aromatic Imines

Συγγραφείς: Quentin Perron, Alexandre Alexakis

Πηγή: ChemInform. 39

Θεματικοί όροι: 01 natural sciences, 0104 chemical sciences

Corrigendum: Se‐Phenyl Prop‐2‐eneselenoate: An Ethylene Equivalent for Diels–Alder Reactions

Συγγραφείς: Michael E. Jung, Felix Perez, Collin F. Regan, Sung Wook Yi, Quentin Perron

Πηγή: Angewandte Chemie International Edition. 52:11963-11963

Θεματικοί όροι: 01 natural sciences, 0104 chemical sciences

Σύνδεσμος πρόσβασης: https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/anie.201308557