IMHO comparing QSAR to modern deep learning methods is sort of like comparing linear regression to modern deep learning methods: a technique that is wholly unsu

IMHO comparing QSAR to modern deep learning methods is sort of like comparing linear regression to modern deep learning methods: a technique that is wholly unsuitable for the sort of problems that deep learning is good at. While I generally agree the data quality is poor, let's be clear: by exploting the data in PDB and Uniprot, Deepmind "solved protein structure prediction". There is a lot more value in the data that's out there, just mostly underutilized.