Kavli Affiliate: Wei Gao | First 5 Authors: Li Kai, Li Ning, Zhang Wei, Gao Ming, | Summary: Based on the traditional VAE, a novel neural network model is presented, with the latest molecular representation, SELFIES, to improve the effect of generating new molecules. In this model, multi-layer convolutional network and Fisher information are added […]
Continue.. Molecular design method based on novel molecular representation and variational auto-encoder