A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility

Inductive transfer learning for molecular activity prediction: Next - Gen QSAR Models with MolPMoFiT

Computational Chemistry Daily, 27 Apr 2020

jcheminf.biomedcentral.com - The MolPMoFiT method we proposed here is adapted from the ULMFiT (Universal Language Model Fine-Tuni…