DeepPCM: Predicting Protein-Ligand Binding using Unsupervised Learned Representations

no code implementations • 25 Sep 2019 • Paul Kim, Robin Winter, Djork-Arné Clevert

We apply this reasoning to propose a novel proteochemometric modeling methodology which, for the first time, uses embeddings generated via unsupervised representation learning for both the protein and ligand descriptors.

Drug Discovery Representation Learning