Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Waldemar Klingspohn"'
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-17 (2017)
Abstract The goal of defining an applicability domain for a predictive classification model is to identify the region in chemical space where the model’s predictions are reliable. The boundary of the applicability domain is defined with the help of
Externí odkaz:
https://doaj.org/article/5ee9fb92b3e141c986510c106c77ee44
Publikováno v:
Molecular informatics. 35(5)
Classification rules are often used in chemoinformatics to predict categorical properties of drug candidates related to bioactivity from explanatory variables, which encode the respective molecular structures (i.e. molecular descriptors). To avoid pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5fc80004c11c4c20368fff70f05bb798
https://pubmed.ncbi.nlm.nih.gov/27492083
https://pubmed.ncbi.nlm.nih.gov/27492083