DeepLPI: a novel deep learning-based model for protein-ligand interaction prediction for drug repurposing.

ABSTRACT: The substantial cost of new drug research and development has consistently posed a huge burden for both pharmaceutical companies and patients. In order to lower the expenditure and development failure rate, repurposing existing and approved drugs by identifying interactions between drug molecules and target proteins based on computational methods have gained growing attention. Here, we propose the DeepLPI, a novel deep learning-based model that mainly consists of ResNet-based 1-dimensional convolutional neural network (1D CNN) and bi-directional long short term memory network (biLSTM), to establish an end-to-end framework for protein-ligand interaction prediction. We first encode the raw drug molecular sequences and target protein sequences into dense vector representations, which go throu

SUBMITTER: Wei B 

PROVIDER: S-EPMC9616420 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature