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PVLOO-Based Training Set Selection Improves the External Predictability of QSAR/QSPR Models.
Dong, Ying; Xiang, Bingren; Du, Ding.
Affiliation
  • Dong Y; Department of Organic Chemistry, College of Science, China Pharmaceutical University , 639 Longmian Avenue, Nanjing 211198, P. R. China.
  • Xiang B; Institute of Pharmaceutical Science, China Pharmaceutical University , 24 Tongjiaxiang, Nanjing 210009, P. R. China.
  • Du D; Department of Organic Chemistry, College of Science, China Pharmaceutical University , 639 Longmian Avenue, Nanjing 211198, P. R. China.
J Chem Inf Model ; 57(5): 1055-1067, 2017 05 22.
Article in En | MEDLINE | ID: mdl-28419798

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / Chemistry / Quantitative Structure-Activity Relationship / Models, Chemical Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2017 Document type: Article Country of publication: United States

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / Chemistry / Quantitative Structure-Activity Relationship / Models, Chemical Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2017 Document type: Article Country of publication: United States