Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen-Reference-Cited by-同舟云学术

Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen

Published:2018-07-16 Issue:8 Volume:58 Page:1596-1609
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Vázquez Javier¹²,Deplano Alessandro¹,Herrero Albert¹,Ginex Tiziana²,Gibert Enric¹,Rabal Obdulia³^ORCID,Oyarzabal Julen³^ORCID,Herrero Enric¹,Luque F. Javier²^ORCID

Affiliation:

1. Pharmacelera, Plaça Pau Vila, 1, Sector C 2a, Edifici Palau de Mar, Barcelona 08039, Spain

2. Department of Nutrition, Food Science and Gastronomy, Faculty of Pharmacy and Food Sciences, Institute of Biomedicine (IBUB), and Institute of Theoretical and Computational Chemistry (IQTC-UB), University of Barcelona, Av. Prat de la Riba 171, Santa Coloma de Gramenet E-08921, Spain

3. Small Molecule Discovery Platform, Molecular Therapeutics Program, Center for Applied Medical Research (CIMA), University of Navarra, Avda. Pio XII 55, Pamplona E-31008, Spain

Funder

Ministerio de Econom?a y Competitividad

Generalitat de Catalunya

Universidad de Navarra

Instituci? Catalana de Recerca i Estudis Avan?ats

Fundaci?n para la Investigaci?n M?dica Aplicada, Universidad de Navarra

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.8b00216