Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data-Reference-Cited by-同舟云学术

Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data

Published:2022-01-26 Issue:3 Volume:62 Page:678-691
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Geslin Damien¹²,Lepailleur Alban¹^ORCID,Manguin Jean-Luc²,Vo Nhat-Vinh²,Lamotte Jean-Luc¹³,Cuissart Bertrand²,Bureau Ronan¹^ORCID

Affiliation:

1. Centre d’Etudes et de Recherche sur le Médicament de Normandie, Normandie Univ, UNICAEN, CERMN, 14000 Caen, France

2. Groupe de Recherche en Informatique, Image, Automatique et Instrumentation de Caen, Normandie Univ, UNICAEN, ENSICAEN, CNRS, GREYC, 14000 Caen, France

3. Sorbonne Université, UFR 919, 4 place Jussieu, F-75252 Paris Cedex 05, France

Funder

Agence Nationale de la Recherche

Regional Council of Normandie

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00427

Reference47 articles.

1. The Pharmacophore Network: A Computational Method for Exploring Structure–Activity Relationships from a Large Chemical Data Set

2. Pharmacophores and Pharmacophore Searches

3. The background, discovery and clinical development of BCR-ABL inhibitors

4. The ChEMBL database in 2017

5. Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?

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