Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Damien Geslin"'
Autor:
Etienne Lehembre, Johanna Giovannini, Damien Geslin, Alban Lepailleur, Jean-Luc Lamotte, David Auber, Abdelkader Ouali, Bruno Cremilleux, Albrecht Zimmermann, Bertrand Cuissart, Ronan Bureau
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-18 (2023)
Abstract This paper presents a novel approach called Pharmacophore Activity Delta for extracting outstanding pharmacophores from a chemogenomic dataset, with a specific focus on a kinase target known as BCR-ABL. The method involves constructing a Has
Externí odkaz:
https://doaj.org/article/d8b69a94ae2f424a8732b836ea448583
Autor:
Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean-Luc Lamotte, Bertrand Cuissart, Ronan Bureau
Publikováno v:
Journal of chemical information and modeling. 62(3)
This paper introduces a general method that can be used to create groups of pharmacophores to support their further in-depth analysis. A BCR-ABL molecular dataset was used to calculate graph edit distances between pharmacophores and led to their orga