The relative importance of domain applicability metrics for estimating prediction errors in QSAR varies with training set diversity

RP Sheridan - Journal of Chemical Information and Modeling, 2015 - ACS Publications
In QSAR, a statistical model is generated from a training set of molecules (represented by
chemical descriptors) and their biological activities (an “activity model”). The aim of the field …
被引用次数：58 相关文章

The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in QSAR Varies with Training Set Diversity

RP Sheridan - Journal of chemical information and …, 2015 - pubmed.ncbi.nlm.nih.gov
In QSAR, a statistical model is generated from a training set of molecules (represented by
chemical descriptors) and their biological activities (an" activity model"). The aim of the field …

The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in QSAR Varies with Training Set Diversity.

RP Sheridan - Journal of Chemical Information and Modeling, 2015 - europepmc.org
In QSAR, a statistical model is generated from a training set of molecules (represented by
chemical descriptors) and their biological activities (an" activity model"). The aim of the field …

[引用][C] The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in QSAR Varies with Training Set Diversity

RP Sheridan - Journal of Chemical Information and Modeling, 2015 - cir.nii.ac.jp
The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in
QSAR Varies with Training Set Diversity | CiNii Research CiNii 国立情報学研究所 学術情報 …