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The Anatomy of High-Performance 2D Similarity Calculations

Similarity measures based on the comparison of dense bit-vectors of two-dimensional chemical features are a dominant method in chemical informatics. For large-scale problems, including compound selection and machine learning, computing the intersection between two dense bit-vectors is the overwhelmi...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Haque, Imran S., Pande, Vijay S., Walters, W. Patrick
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4839782/
https://ncbi.nlm.nih.gov/pubmed/21854053
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200235e
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