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The Journal of Physical Chemistry. A|June 6, 2026
How to Accurately Predict the Fluorescent Property of Multiresonance TADF: Density Functional Theory or Machine Learning?Yihuan Zhao
BMC Chemistry|October 18, 2024
Combined machine learning models, docking analysis, ADMET studies and molecular dynamics simulations for the design of novel FAK inhibitors against glioblastomaYihuan Zhao, Xiaoyu He, Qianwen Wan
Molecular Diversity|July 6, 2024
Construction of IRAK4 inhibitor activity prediction model based on machine learningYihuan Zhao, Qianwen Wan, Xiaoyu He
Archives of Toxicology|June 29, 2026
From data mining to mechanistic prediction: a study on drug-induced lung injury integrating FAERS, machine learning, and network toxicologyYihuan Zhao, Jiawang Yan, Yaofeng Zhou
Molecular Diversity|July 11, 2026
Prediction and mechanistic insights into drug-induced reproductive toxicity through integrated machine learning, FAERS-based signal comparison, and network toxicology analysesJiawang Yan, Yaofeng Zhou, Yihuan Zhao, et al.
Molecular Diversity|July 21, 2025
An integrated approach for novel PTP1B inhibitor screening: combining machine learning models, molecular docking, molecular and dynamics simulationsYihuan Zhao, Yujuan Chen, Xiaoli Tao, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 15, 2018
Acquiring High-Performance Deep-Blue OLED Emitters through an Unexpected Blueshift Color-Tuning Effect Induced by Electron-Donating -OMe SubstituentsSong Peng, Yihuan Zhao, Caixia Fu, et al.
Physical Chemistry Chemical Physics : PCCP|October 14, 2016
Exploring the mechanism of F282L mutation-caused constitutive activity of GPCR by a computational studyNan Gao, Tao Liang, Yuan Yuan, et al.
Molecular Diversity|June 26, 2026
Machine learning-driven prioritization and experimental validation of traditional Chinese medicine-derived STING-inhibitory candidatesTian Zhao, Dan Chen, Zongjun Chen, et al.
Advanced Materials (Deerfield Beach, Fla.)|July 4, 2020
An Ultraviolet Thermally Activated Delayed Fluorescence OLED with Total External Quantum Efficiency over 9Yanju Luo, Shuaibing Li, Yihuan Zhao, et al.
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