Published in
Royal Society of Chemistry, Nanoscale, 40(12), p. 20669-20676, 2020
DOI: 10.1039/d0nr05220e
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Structure–activity prediction networks (SAPNets): a step beyond Nano-QSAR for effective implementation of the safe-by-design concept
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Abstract
SAPNet, a network of meta-models that is built layer by layer from the endpoint (e.g. toxicity or other properties of interest) to descriptors that describe the structure.