Cross-Classified Multilevel Modelling of the Effectiveness of Similarity-Based Virtual Screening.

Mazalan, Lucyantie; Bell, Andrew; Sbaffi, Laura; Willett, Peter

Mazalan, Lucyantie; Bell, Andrew; Sbaffi, Laura; Willett, Peter.

Affiliation

Mazalan L; Information School, University of Sheffield, 211 Portobello, Sheffield, S1â4DP, UK.
Bell A; Sheffield Methods Institute, University of Sheffield, 219 Portobello, Sheffield, S1â4DP, UK.
Sbaffi L; Information School, University of Sheffield, 211 Portobello, Sheffield, S1â4DP, UK.
Willett P; Information School, University of Sheffield, 211 Portobello, Sheffield, S1â4DP, UK.

ChemMedChem ; 13(6): 582-587, 2018 03 20.

Article in En | MEDLINE | ID: mdl-29106074

Subject(s)

Databases, Chemical; Drug Evaluation, Preclinical; Pharmaceutical Preparations/chemistry; Drug Discovery; Ligands; Models, Molecular

Key words

chemical fingerprints; cross-classified multilevel modelling; similarity coefficients; similarity searching; virtual screening

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pharmaceutical Preparations / Drug Evaluation, Preclinical / Databases, Chemical Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Language: En Journal: ChemMedChem Year: 2018 Document type: Article

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