Concepedia

Machine Learning For Admet

Machine Learning for ADMET is a computational methodology that applies machine learning algorithms to predict the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of chemical compounds, distinguishing it from general ADMET modeling by its reliance on data-driven predictive models trained on empirical or experimental data.

84

Publications

5K

Citations

352

Authors

155

Institutions

Publications per year

2017–2026

66

Parents

Publications

84

Machine Learning and Artificial Intelligence in Pharmaceutical Research and Development: a Review

The AAPS Journal · 2022 · 279 citations · Full text

, , +16

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Thomas J. Struble, Juan C. Alvarez, Scott P. Brown et al. · Journal of Medicinal Chemistry · 2020 · 250 citations · Full text

, , +17

ADMET-AI: a machine learning ADMET platform for evaluation of large-scale chemical libraries

Kyle Swanson, Parker Walther, Jeremy Leitz et al. · Bioinformatics · 2024 · 246 citations · Full text

, , +16

ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage

Sichao Wang, Youyong Li, Junmei Wang et al. · Molecular Pharmaceutics · 2012 · 173 citations

, , +15

ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling

Tailong Lei, Youyong Li, Yunlong Song et al. · Journal of Cheminformatics · 2016 · 173 citations · Full text

, , +15

1–5 of 84

Authors

352

  1. TH
    Tingjun Hou

    Zhejiang University, China

    9 publications · 1K citations

    9

    h-index

  2. YL
    Youyong Li

    Soochow University, China

    6 publications · 809 citations

    6

    h-index

  3. TL
    Tailong Lei

    Zhejiang University, China

    4 publications · 497 citations

    4

    h-index

  4. HS
    Huiyong Sun

    Zhejiang University, China

    4 publications · 495 citations

    4

    h-index

  5. DL
    Dan Li

    Zhejiang University, China

    3 publications · 358 citations

    3

    h-index

1–5 of 352

Institutions

155

  1. Zhejiang University

    Hangzhou, China

    7 h-index

    32 publications

    3.5K citations

  2. Soochow University

    Suzhou, China

    5 h-index

    10 publications

    1.5K citations

  3. Central South University

    Changsha, China

    4 h-index

    16 publications

    980 citations

  4. B.J. Medical College

    Ahmedabad, India

    3 h-index

    11 publications

    391 citations

  5. AstraZeneca (Sweden)

    Södertälje, Sweden

    3 h-index

    6 publications

    354 citations

  6. Novartis (United States)

    New York, United States

    3 h-index

    3 publications

    390 citations

  7. Novartis (Switzerland)

    Basel, Switzerland

    2 h-index

    8 publications

    268 citations

  8. Collaborations Pharmaceuticals (United States)

    Raleigh, United States

    2 h-index

    2 publications

    241 citations

1–8 of 155

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 12 publications · 920 citations

    13

    h-index

  2. Molecular Pharmaceutics

    6 publications · 552 citations

    6

    h-index

  3. Methods in molecular biology

    Book series · 5 publications · 137 citations

    5

    h-index

  4. Journal of Molecular Structure

    3 publications · 104 citations

    3

    h-index

  5. QSAR & Combinatorial Science

    2 publications · 114 citations

    2

    h-index

1–5