المؤلفون: Maxime Mistretta, Mena Cimino, Pascal Campagne, Stevenn Volant, Etienne Kornobis, Olivier Hebert, Christophe Rochais, Patrick Dallemagne, Cédric Lecoutey, Camille Tisnerat, Alban Lepailleur, Yann Ayotte, Steven R. LaPlante, Nicolas Gangneux, Monika Záhorszká, Jana Korduláková, Sophie Vichier-Guerre, Frédéric Bonhomme, Laura Pokorny, Marvin Albert, Jean-Yves Tinevez, Giulia Manina

المصدر: Nature Communications, Vol 15, Iss 1, Pp 1-22 (2024)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/fa9c75f3b4af4a52a3bae94cff9e5192

المؤلفون: Etienne Lehembre, Johanna Giovannini, Damien Geslin, Alban Lepailleur, Jean-Luc Lamotte, David Auber, Abdelkader Ouali, Bruno Cremilleux, Albrecht Zimmermann, Bertrand Cuissart, Ronan Bureau

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-18 (2023)

مصطلحات موضوعية: Hasse diagram, Partial order graph, Pharmacophore, BCR-ABL, Siblings, Activity delta, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

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

URL الوصول: https://doaj.org/article/d8b69a94ae2f424a8732b836ea448583

المؤلفون: Alban Lepailleur, Guillaume Poezevara, Ronan Bureau

المصدر: Computational and Structural Biotechnology Journal, Vol 5, Iss 6 (2013)

مصطلحات موضوعية: Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037014600416; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/39df0ce9cc644ceda7b49740469df846

المؤلفون: Ronan Bureau, Guillaume Poezevara, Alban Lepailleur

المصدر: Computational and Structural Biotechnology Journal, Vol 5, Iss 6, p e201302013 (2013)

مصطلحات موضوعية: Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://journals.sfu.ca/rncsb/index.php/csbj/article/view/csbj.201302013; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/7b9160d0aa324445a624a370301885f7

المؤلفون: Maxime Mistretta, Mena Cimino, Pascal Campagne, Stevenn Volant, Etienne Kornobis, Olivier Hebert, Christophe Rochais, Patrick Dallemagne, Cédric Lecoutey, Camille Tisnerat, Alban Lepailleur, Yann Ayotte, Steven R. LaPlante, Nicolas Gangneux, Monika Záhorszká, Jana Korduláková, Sophie Vichier-Guerre, Frédéric Bonhomme, Laura Pokorny, Marvin Albert, Jean-Yves Tinevez, Giulia Manina

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::341d224a1ebe6ec3997b591329728341
https://doi.org/10.1101/2023.03.31.535085

المؤلفون: Hajar Rehioui, Bertrand Cuissart, Abdelkader Ouali, Alban Lepailleur, Jean‐Luc Lamotte, Ronan Bureau, Albrecht Zimmermann

المصدر: Molecular informaticsReferences. 42(1)

مصطلحات موضوعية: Structural Biology, Organic Chemistry, Drug Discovery, Molecular Medicine, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e6470f66bdefe72a375bf92a3c7c44c
https://pubmed.ncbi.nlm.nih.gov/36221998

المؤلفون: Leander Schietgat, Bertrand Cuissart, Kurt De Grave, Kyriakos Efthymiadis, Ronan Bureau, Bruno Crémilleux, Jan Ramon, Alban Lepailleur

المساهمون: Informatics and Applied Informatics, Artificial Intelligence, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Equipe CODAG - Laboratoire GREYC - UMR6072, Groupe de Recherche en Informatique, Image et Instrumentation de Caen (GREYC), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS), Flanders Make, Artificial Intelligence Lab [Brussels] (VUB), Vrije Universiteit Brussel (VUB), Centre d'Etudes et de Recherche sur le Médicament de Normandie (CERMN), Normandie Université (NU)-Normandie Université (NU), Machine Learning in Information Networks (MAGNET), Inria Lille - Nord Europe, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre de Recherche en Informatique, Signal et Automatique de Lille - UMR 9189 (CRIStAL), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)

المصدر: Molecular Informatics
Molecular Informatics, In press, ⟨10.1002/minf.202200232⟩

مصطلحات موضوعية: MESH: machine learning, toxicophore, structural alert, Organic Chemistry, mutagenicitystructural alert, Computer Science Applications, Machine Learning, MCS, maximum common substructure, [STAT.ML]Statistics [stat]/Machine Learning [stat.ML], Structural Biology, Drug Discovery, Molecular Medicine, [CHIM.CHEM]Chemical Sciences/Cheminformatics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df7853cdb7258c882022508aa4b3db19
https://doi.org/10.1002/minf.202200232

المؤلفون: Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean-Luc Lamotte, Bertrand Cuissart, Ronan Bureau

المصدر: Journal of chemical information and modeling. 62(3)

مصطلحات موضوعية: Structure-Activity Relationship, General Chemical Engineering, Cluster Analysis, General Chemistry, Library and Information Sciences, Algorithms, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d92d72e1975b525c44fbadd88050e9f1
https://pubmed.ncbi.nlm.nih.gov/35080879

المؤلفون: Etienne Lehembre, Ronan Bureau, Bruno Cremilleux, Bertrand Cuissart, Jean-Luc Lamotte, Alban Lepailleur, Abdelkader Ouali, Albrecht Zimmermann

المصدر: Lecture Notes in Computer Science ISBN: 9783031013324

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1a04373b6836d78be9f5f63c6f280ec3
https://doi.org/10.1007/978-3-031-01333-1_15

المؤلفون: Serge Mignani, Patrick Dallemagne, Christophe Rochais, Amanda Garrido, Alban Lepailleur

المساهمون: Centre d'Etudes et de Recherche sur le Médicament de Normandie (CERMN), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU), Laboratoire de Chimie et de Biochimie Pharmacologiques et Toxicologiques (LCBPT - UMR 8601), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Universidade da Madeira (UMA)

المصدر: European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry, Elsevier, 2020, 195, pp.112290-. ⟨10.1016/j.ejmech.2020.112290⟩

مصطلحات موضوعية: Drug, media_common.quotation_subject, hERG, Bioinformatics, 01 natural sciences, Food and drug administration, 03 medical and health sciences, Drug Discovery, Humans, [CHIM]Chemical Sciences, Adverse effect, 030304 developmental biology, media_common, Pharmacology, 0303 health sciences, Cardiotoxicity, biology, 010405 organic chemistry, Chemistry, Organic Chemistry, General Medicine, Ether-A-Go-Go Potassium Channels, 0104 chemical sciences, 3. Good health, Drug development, Drug Design, Toxicity, Practice Guidelines as Topic, biology.protein

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::91d7dbd1eeea4ceb0061dd8dd4f73080
https://hal.archives-ouvertes.fr/hal-03490407