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In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening.
Sieg, Jochen; Flachsenberg, Florian; Rarey, Matthias.
Affiliation
  • Sieg J; Universität Hamburg , ZBH - Center for Bioinformatics, Research Group for Computational Molecular Design , Bundesstraße 43 , 20146 Hamburg , Germany.
  • Flachsenberg F; Universität Hamburg , ZBH - Center for Bioinformatics, Research Group for Computational Molecular Design , Bundesstraße 43 , 20146 Hamburg , Germany.
  • Rarey M; Universität Hamburg , ZBH - Center for Bioinformatics, Research Group for Computational Molecular Design , Bundesstraße 43 , 20146 Hamburg , Germany.
J Chem Inf Model ; 59(3): 947-961, 2019 03 25.
Article in En | MEDLINE | ID: mdl-30835112
Subject(s)
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Bias / Machine Learning Type of study: Diagnostic_studies / Observational_studies / Prognostic_studies / Risk_factors_studies / Screening_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2019 Document type: Article Affiliation country: Germany Country of publication: United States
Fulltext
Add to My VHL
Print
XML
PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Bias / Machine Learning Type of study: Diagnostic_studies / Observational_studies / Prognostic_studies / Risk_factors_studies / Screening_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2019 Document type: Article Affiliation country: Germany Country of publication: United States