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Type: Artigo de periódico
Title: Digital Filters for Molecular Interaction Field Descriptors
Author: Barbosa, EG
Ferreira, MMC
Abstract: Descriptor properties are often neglected when building 3D-QSAR models. The relevance of correlation and distribution profiles is tested in terms of the models prediction power. A different approach to filter descriptors prior to variable selection is proposed. Additionally, a protocol for molecular interaction field descriptors selection and model validation is presented. The algorithms and protocols presented are quite simple and enable a different and powerful way to create parsimonious interaction field-based models.
Subject: Correlation coefficient
Distribution profiles
MIF descriptors
Country: EUA
Editor: Wiley-blackwell
Citation: Molecular Informatics. Wiley-blackwell, v. 31, n. 1, n. 75, n. 84, 2012.
Rights: fechado
Identifier DOI: 10.1002/minf.201000181
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

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