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Journal of Chemical Information and Modeling
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May 12, 2026
ULCYP: A Multitask Model for Predicting P450 Inducers Based on Positive-Unlabeled Learning
Changda Gong, Jiaojiao Fang, Guixia Liu, et al.
Journal of Chemical Information and Modeling
|
April 9, 2024
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes
Yanjun Feng, Changda Gong, Jieyu Zhu, et al.
Journal of Applied Toxicology : JAT
|
March 28, 2024
Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition
Changda Gong, Yanjun Feng, Jieyu Zhu, et al.
Journal of Cheminformatics
|
December 9, 2025
SGEDiff: a subgraph-enriched diffusion model for structure-based 3D molecular generation
Changda Gong, Jiaojiao Fang, Yan Tang, et al.
Journal of Chemical Information and Modeling
|
June 19, 2023
Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features
Yanjun Feng, Changda Gong, Jieyu Zhu, et al.
Journal of Pharmaceutical Analysis
|
July 18, 2025
<i>In silico</i> prediction of p<i>K</i> <sub>a</sub> values using explainable deep learning methods
Chen Yang, Changda Gong, Zhixing Zhang, et al.
Chemical Research in Toxicology
|
August 28, 2024
Prediction of Cytochrome P450 Substrates Using the Explainable Multitask Deep Learning Models
Jiaojiao Fang, Yan Tang, Changda Gong, et al.
Journal of Chemical Information and Modeling
|
January 6, 2026
Prediction of Intravenous Pharmacokinetic Parameters across Multiple Species by a Multifidelity Deep Learning Framework
Jiaojiao Fang, Changda Gong, Keyun Zhu, et al.
Chinese Journal of Natural Medicines
|
November 19, 2025
KG-CNNDTI: a knowledge graph-enhanced prediction model for drug-target interactions and application in virtual screening of natural products against Alzheimer's disease
Chengyuan Yue, Baiyu Chen, Long Chen, et al.
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Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
May 12, 2026
ULCYP: A Multitask Model for Predicting P450 Inducers Based on Positive-Unlabeled Learning
Changda Gong, Jiaojiao Fang, Guixia Liu, et al.
Journal of Chemical Information and Modeling
|
April 9, 2024
Unraveling the Ligand-Binding Sites of CYP3A4 by Molecular Dynamics Simulations with Solvent Probes
Yanjun Feng, Changda Gong, Jieyu Zhu, et al.
Journal of Applied Toxicology : JAT
|
March 28, 2024
Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition
Changda Gong, Yanjun Feng, Jieyu Zhu, et al.
Journal of Cheminformatics
|
December 9, 2025
SGEDiff: a subgraph-enriched diffusion model for structure-based 3D molecular generation
Changda Gong, Jiaojiao Fang, Yan Tang, et al.
Journal of Chemical Information and Modeling
|
June 19, 2023
Prediction of Sites of Metabolism of CYP3A4 Substrates Utilizing Docking-Derived Geometric Features
Yanjun Feng, Changda Gong, Jieyu Zhu, et al.
Journal of Pharmaceutical Analysis
|
July 18, 2025
<i>In silico</i> prediction of p<i>K</i> <sub>a</sub> values using explainable deep learning methods
Chen Yang, Changda Gong, Zhixing Zhang, et al.
Chemical Research in Toxicology
|
August 28, 2024
Prediction of Cytochrome P450 Substrates Using the Explainable Multitask Deep Learning Models
Jiaojiao Fang, Yan Tang, Changda Gong, et al.
Journal of Chemical Information and Modeling
|
January 6, 2026
Prediction of Intravenous Pharmacokinetic Parameters across Multiple Species by a Multifidelity Deep Learning Framework
Jiaojiao Fang, Changda Gong, Keyun Zhu, et al.
Chinese Journal of Natural Medicines
|
November 19, 2025
KG-CNNDTI: a knowledge graph-enhanced prediction model for drug-target interactions and application in virtual screening of natural products against Alzheimer's disease
Chengyuan Yue, Baiyu Chen, Long Chen, et al.
Page
of 1