Getting SMARt in drug discovery: chemoinformatics approaches for mining structure–multiple activity relationships
Author:
Affiliation:
1. Facultad de Química
2. Departamento de Farmacia
3. Universidad Nacional Autónoma de México
4. Avenida Universidad 3000
5. Mexico City 04510
Abstract
In light of the high relevance of polypharmacology, multi-target screening is a major trend in drug discovery.
Funder
Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA26230A
Reference42 articles.
1. Shifting from the single to the multitarget paradigm in drug discovery
2. MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs
3. Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry
4. ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks
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