Abstract：
:This paper is an overview of the most significant and impactful interpretation approaches of quantitative structure-activity relationship (QSAR) models, their development, and application. The evolution of the interpretation paradigm from "model → descriptors → (structure)" to "model → structure" is indicated. The latter makes all models interpretable regardless of machine learning methods or descriptors used for modeling. This opens wide prospects for application of corresponding interpretation approaches to retrieve structure-property relationships captured by any models. Issues of separate approaches are discussed as well as general issues and prospects of QSAR model interpretation.
journal_name
J Chem Inf Modeljournal_title
Journal of chemical information and modelingauthors
Polishchuk Pdoi
10.1021/acs.jcim.7b00274subject
Has Abstractpub_date
2017-11-27 00:00:00pages
2618-2639issue
11eissn
1549-9596issn
1549-960Xjournal_volume
57pub_type
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