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Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR - Nature Reviews Drug Discovery

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Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR - Nature Reviews Drug Discovery

Quantitative structure–activity relationship (QSAR) modelling, an approach that was introduced 60 years ago, is widely used in computer-aided drug design. In recent years, progress in artificial intelligence techniques, such as deep learning, the rapid growth of databases of molecules for virtual screening and dramatic improvements in computational power have supported the emergence of a new field of QSAR applications that we term 'deep QSAR'.

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Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR - Nature Reviews Drug Discovery

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Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR - Nature Reviews Drug Discovery

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