Sorry, you need to enable JavaScript to visit this website.

TD-GPT: Target Protein-Specific Drug Molecule Generation GPT

Citation Author(s):
Linjie Chen, Jiaying Xu, Hao Lv, Rui-ning Zhou, Jianhua Hu, Yadong Chen , Yang Gao
Submitted by:
Zhengda HE
Last updated:
15 April 2024 - 3:45am
Document Type:
Presentation Slides
Event:
Presenters:
Zhengda HE
Paper Code:
BISP-L8.3
Categories:
 

Drug discovery faces challenges due to the vast chemical space and complex drug-target interactions. This paper proposes a novel deep learning framework TD-GPT for targeted drug molecule generation. TD-GPT comprises a linear Transformer for drug-target affinity prediction, an affinity-enhanced protein encoder using sequences, and a target-specific attention module in the molecular Transformer decoder. Experiments demonstrate TD-GPT’s efficiency in generating valid, novel molecules with high affinity and specificity for desired targets without target fine-tuning. The model provides a new paradigm for accelerated, cost-effective drug discovery.

up
0 users have voted: