Abstract:MACHINE LEARNING APLLIED TO QSAR. Over the years the study of the quantitative structure-activity relationship (QSAR) has transformed from a simple regression analysis to the implementation of machine learning (ML) with multiple statistics. Today ML-based QSAR models are quite important and play a notable role in drug design and screening, property prediction, biological activity, etc. ML methods applied to QSAR build classification or regression models to describe/predict the complex relationships between the… Show more
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