An Analysis of QSAR Research Based on Machine Learning Concepts.

This study systematically reviews the application of machine learning algorithms in QSAR, aiming to provide an analytical framework. For this purpose, we present a framework called 'ML-QSAR'. This framework has been designed for future research to: a)facilitate the selection of proper strategies among existing algorithms according to the application area requirements, b) help to develop and ameliorate current methods and c) providing a platform to study existing methodologies comparatively. In ML-QSAR, first a structured categorization is depicted which studied the QSAR modeling research based on machine models. Then several criteria are introduced in order to assess the models. Finally, inspired by aforementioned criteria the qualitative analysis is carried out. PMID: 32178612 [PubMed - as supplied by publisher]
Source: Current Drug Discovery Technologies - Category: Drugs & Pharmacology Authors: Tags: Curr Drug Discov Technol Source Type: research