MDTips: a multimodal-data-based drug-target interaction prediction system fusing knowledge, gene expression profile, and structural data.

ABSTRACT:

Motivation

Screening new drug-target interactions (DTIs) by traditional experimental methods is costly and time-consuming. Recent advances in knowledge graphs, chemical linear notations, and genomic data enable researchers to develop computational-based-DTI models, which play a pivotal role in drug repurposing and discovery. However, there still needs to develop a multimodal fusion DTI model that integrates available heterogeneous data into a unified framework.

Results

We developed MDTips, a multimodal-data-based DTI prediction system, by fusing the knowledge graphs, gene expression profiles, and structural information of drugs/targets. MDTips yielded accurate and robust performance on DTI predictions. We found that multimodal fusion learning can fully consider the importanc

SUBMITTER: Xia X 

PROVIDER: S-EPMC10329491 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature