QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps-Reference-Cited by-同舟云学术

QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps

Published:2014-06-02 Issue:18 Volume:35 Page:1395-1409
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

García-Jacas César R.¹²,Marrero-Ponce Yovani²³⁴,Acevedo-Martínez Liesner¹,Barigye Stephen J.²⁵,Valdés-Martiní José R.²⁶,Contreras-Torres Ernesto¹

Affiliation:

1. Grupo de Investigación de Bioinformática; Centro de Estudio de Matemática Computacional, Universidad de las Ciencias Informáticas; La Habana Cuba

2. Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy, Universidad Central “Martha Abreu” de Las Villas; Santa Clara 54830 Villa Clara Cuba

3. Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna; P.O. Box 22085 València E-46071 Spain

4. Facultad de Química Farmacéutica; Universidad de Cartagena, Cartagena de Indias; Bolívar Colombia

5. School of Pharmacy, Kampala International University, Western Campus; P.O. Box 71 Bushenyi Uganda

6. Facultad de Matemática; Centro de Estudios de Informática (CEI), Física y Computación, Universidad Central “Marta Abreu” de Las Villas; Santa Clara Villa Clara 54830 Cuba

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23640/fullpdf

Reference56 articles.

1. Molecular Descriptors for Chemoinformatics

2. VolSurf: a new tool for the pharmacokinetic optimization of lead compounds

3. MODEL—molecular descriptor lab: A web-based server for computing structural and physicochemical features of compounds

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