World's Best Scientists 2026 revealed!

D-Index & Metrics

Computer Science

D-Index
45
Citations
11839
World Ranking
7057
National Ranking
941

Overview

Weihua Li is affiliated with East China University of Science and Technology in China. Their research primarily spans the fields of biochemistry, genetics, molecular biology, and computer science, encompassing a significant volume of scientific work in these areas.

The main fields of study include:

  • Biochemistry, Genetics and Molecular Biology
  • Computer Science

More specifically, their work delves into subfields such as molecular biology, computational theory and mathematics, pharmacology, genetics, and spectroscopy.

  • Molecular Biology
  • Computational Theory and Mathematics
  • Pharmacology
  • Genetics
  • Spectroscopy

The scientist's research topics demonstrate a focus on computational drug discovery methods, pharmacogenetics and drug metabolism, analytical chemistry and chromatography, metabolomics and mass spectrometry studies, machine learning in materials science, bioinformatics and genomic networks, as well as areas related to cholinesterase and neurodegenerative diseases.

  • Computational Drug Discovery Methods
  • Pharmacogenetics and Drug Metabolism
  • Analytical Chemistry and Chromatography
  • Metabolomics and Mass Spectrometry Studies
  • Machine Learning in Materials Science
  • Bioinformatics and Genomic Networks
  • Cholinesterase and Neurodegenerative Diseases

Weihua Li has contributed research papers in various high-impact publication venues, with frequent publications appearing in journals such as:

  • Journal of Chemical Information and Modeling
  • Chemical Research in Toxicology
  • Journal of Applied Toxicology
  • Research Square (Research Square)
  • Journal of Cheminformatics

Recent notable publications include:

  • "ALC1 links chromatin accessibility to PARP inhibitor response in homologous recombination-deficient cells" (2021) published in Nature Cell Biology
  • "GCG inhibits SARS-CoV-2 replication by disrupting the liquid phase condensation of its nucleocapsid protein" (2021) published in Nature Communications
  • "admetSAR3.0: a comprehensive platform for exploration, prediction and optimization of chemical ADMET properties" (2024) published in Nucleic Acids Research
  • "Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery" (2020) published in Chemical Research in Toxicology
  • "The chimeric gene atp6c confers cytoplasmic male sterility in maize by impairing the assembly of the mitochondrial ATP synthase complex" (2022) published in Molecular Plant

Frequent collaboration has been established with several co-authors, including:

  • Yun Tang
  • Guixia Liu
  • Zengrui Wu
  • Zhuohang Yu
  • Yimeng Wang

Best Publications

  • admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties.

    Feixiong Cheng;Weihua Li;Yadi Zhou;Jie Shen

  • admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

    Hongbin Yang;Chaofeng Lou;Lixia Sun;Jie Li

  • Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

    Feixiong Cheng;Chuang Liu;Jing Jiang;Weiqiang Lu

  • ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness.

    Longfei Guan;Hongbin Yang;Yingchun Cai;Lixia Sun

  • Estimation of ADME properties with substructure pattern recognition.

    Jie Shen;Feixiong Cheng;You Xu;Weihua Li

  • In silico ADMET prediction: recent advances, current challenges and future trends.

    Feixiong Cheng;Weihua Li;Guixia Liu;Yun Tang

  • In silico Prediction of Chemical Ames Mutagenicity

    Congying Xu;Feixiong Cheng;Lei Chen;Zheng Du

  • In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts.

    Hongbin Yang;Lixia Sun;Weihua Li;Guixia Liu

  • Network-Based Methods for Prediction of Drug-Target Interactions.

    Zengrui Wu;Weihua Li;Guixia Liu;Yun Tang

  • Classification of cytochrome P450 inhibitors and noninhibitors using combined classifiers.

    Feixiong Cheng;Yue Yu;Jie Shen;Lei Yang

  • In Silico Prediction of Chemical Acute Oral Toxicity Using Multi-Classification Methods

    Xiao Li;Lei Chen;Feixiong Cheng;Zengrui Wu

  • ASD: a comprehensive database of allosteric proteins and modulators

    Zhimin Huang;Liang Zhu;Yan Cao;Geng Wu

  • In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

    Zhuang Wang;Hongbin Yang;Zengrui Wu;Tianduanyi Wang

  • Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening

    Guoping Hu;Guanglin Kuang;Wen Xiao;Weihua Li

  • SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug–target interactions and drug repositioning

    Zengrui Wu;Feixiong Cheng;Jie Li;Weihua Li

  • Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods

    Feixiong Cheng;Yadi Zhou;Jie Li;Weihua Li

  • Adverse drug events: database construction and in silico prediction.

    Feixiong Cheng;Weihua Li;Xichuan Wang;Yadi Zhou

  • In silico assessment of chemical biodegradability.

    Feixiong Cheng;Yutaka Ikenaga;Yadi Zhou;Yue Yu

  • In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods.

    Feixiong Cheng;Jie Shen;Yue Yu;Weihua Li

  • Prediction of Chemical-Protein Interactions Network with Weighted Network-Based Inference Method

    Feixiong Cheng;Yadi Zhou;Weihua Li;Guixia Liu

Frequent Co-Authors

Yun Tang
Yun Tang East China University of Science and Technology
Feixiong Cheng
Feixiong Cheng Case Western Reserve University
Hualiang Jiang
Hualiang Jiang Chinese Academy of Sciences
Xu Shen
Xu Shen Nanjing University of Chinese Medicine
Hong Liu
Hong Liu Shandong University
James R. Halpert
James R. Halpert University of Connecticut
Yixue Li
Yixue Li Chinese Academy of Sciences
Howard S. Fox
Howard S. Fox University of Nebraska Medical Center
Guo-Qiang Chen
Guo-Qiang Chen Tsinghua University
Baorong Hou
Baorong Hou Chinese Academy of Sciences

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