Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors-Reference-Cited by-同舟云学术

Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors

Published:2011-12-09 Issue:12 Volume:51 Page:3036-3049
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Rivera-Borroto Oscar Miguel¹²,Marrero-Ponce Yovani²,García-de la Vega José Manuel³,Grau-Ábalo Ricardo del Corazón¹

Affiliation:

1. Laboratorio de Bioinformática, Centro de Estudios de Informática, Facultad de Matemática, Física y Computación, Universidad Central “Marta Abreu” de Las Villas (UCLV), Santa Clara, 54830 Villa Clara, Cuba

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

3. Departamento de Química Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid (UAM), 28049 Madrid, Spain

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/ci2000083

Reference93 articles.

1. Data clustering

2. A Cluster-Based Strategy for Assessing the Overlap between Large Chemical Libraries and Its Application to a Recent Acquisition

3. A method for the automatic classification of chemical structures

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