Please use this identifier to cite or link to this item:
|Type:||Artigo de periódico|
|Title:||Digital Filters for Molecular Interaction Field Descriptors|
|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.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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