Structure–activity prediction networks (SAPNets): a step beyond Nano-QSAR for effective implementation of the safe-by-design concept
Abstract A significant number of experimental studies are supported by computational methods such as quantitative structure–activity relationship modeling of nanoparticles (Nano-QSAR). This is especially so in research focused on design and synthesis of new, safer nanomaterials using safe-by-design concepts. However, Nano-QSAR has a number of important limitations. For example, it is not clear which descriptors…