Semi-inductive dataset construction and framework optimization for practical drug target interaction prediction with ScopeDTI

Y Yigang Chen X Xiang Ji (Department of Statistics) Z Ziyue Zhang (State Key Laboratory of Reproductive Medicine and Offspring Health, Key Laboratory of Infection Immunity and Disease Intervention of Shandong Province, Key Laboratory for Experimental Teratology of Ministry of Education, Shandong University) Z Zihao Zhu (MOE Key Laboratory of Macromolecule Synthesis and Functionalization of Ministry of Education, Department of Polymer Science and Engineering) Y Yuming Zhou C Chang Su (School of Materials Science and Engineering, State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, Technology Innovation Center of High Performance Resin Materials (Liaoning Province)) Y Yang-Chi-Dung Lin H Hsi-Yuan Huang K Kangping Wei Y Yi Lai (State Key Laboratory of Chemical Biology and Center of Pharmaceutics, Shanghai Institute of Materia Medica) K Ke Chen X Xingqiao Lin Y Yangyi Zhang (Department of Oncology, Beijing Shijitan Hospital, Capital Medical University) J Jiehui Fu Y Yixian Huang S Shidong Cui S Shih-Chung Yen T Tao Zhang A Arieh Warshel (Department of Chemistry) H Hsien-Da Huang

Article Details

Volume / Issue Vol. 16, Issue 1
Published December 13, 2025
ISSN 2041-1723
Publisher Nature Portfolio

Journal Info

Nature Communications

Nature Portfolio

ISSN: 2041-1723 Open Access Life Sciences

Authors (20)

Y

Yigang Chen

X

Xiang Ji

Department of Statistics

Z

Ziyue Zhang

State Key Laboratory of Reproductive Medicine and Offspring Health, Key Laboratory of Infection Immunity and Disease Intervention of Shandong Province, Key Laboratory for Experimental Teratology of Ministry of Education, Shandong University

Z

Zihao Zhu

MOE Key Laboratory of Macromolecule Synthesis and Functionalization of Ministry of Education, Department of Polymer Science and Engineering

Y

Yuming Zhou

C

Chang Su

School of Materials Science and Engineering, State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, Technology Innovation Center of High Performance Resin Materials (Liaoning Province)

Y

Yang-Chi-Dung Lin

H

Hsi-Yuan Huang

K

Kangping Wei

Y

Yi Lai

State Key Laboratory of Chemical Biology and Center of Pharmaceutics, Shanghai Institute of Materia Medica

K

Ke Chen

X

Xingqiao Lin

Y

Yangyi Zhang

Department of Oncology, Beijing Shijitan Hospital, Capital Medical University

J

Jiehui Fu

Y

Yixian Huang

S

Shidong Cui

S

Shih-Chung Yen

T

Tao Zhang

A

Arieh Warshel

Department of Chemistry

H

Hsien-Da Huang