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Autocorrelation Descriptor Improvements for QSAR: 2DA_Sign and 3DA_Sign

Quantitative Structure-Activity Relationship (QSAR) is a branch of computer aided drug discovery (CADD) that relates chemical structures to biological activity. Two well established and related QSAR descriptors are two- and three-dimensional autocorrelation (2DA and 3DA). These descriptors encode th...

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Publicat a:J Comput Aided Mol Des
Autors principals: Sliwoski, Gregory, Mendenhall, Jeffrey, Meiler, Jens
Format: Artigo
Idioma:Inglês
Publicat: 2015
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4803518/
https://ncbi.nlm.nih.gov/pubmed/26721261
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-015-9893-9
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