Concepedia

Machine Learning Scoring Models

Machine Learning Scoring Models is a computational approach within virtual screening that employs statistical learning algorithms to predict the binding affinity or biological activity of small molecules toward a target protein, distinguished from classical scoring functions by its reliance on training data and complex, non-linear feature representations to improve prediction accuracy.

564

Publications

38.5K

Citations

2.2K

Authors

899

Institutions

Publications per year

2017–2026

405

Parents

Publications

564

MoleculeNet: a benchmark for molecular machine learning

Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg et al. · Chemical Science · 2017 · 2.9K citations · Full text

, , +14

A computer readability formula designed for machine scoring.

Meri Coleman, Ta Lin Liau · Journal of Applied Psychology · 1975 · 996 citations

, , +7

<i>K</i><sub>DEEP</sub>: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

José Jiménez-Luna, Miha Škalič, Gérard Martinez et al. · Journal of Chemical Information and Modeling · 2018 · 964 citations · Full text

, , +17

Explanation of machine learning models using shapley additive explanation and application for real data in hospital

Yasunobu Nohara, Koutarou Matsumoto, Hidehisa Soejima et al. · Computer Methods and Programs in Biomedicine · 2021 · 925 citations · Full text

, , +14

Protein–Ligand Scoring with Convolutional Neural Networks

Journal of Chemical Information and Modeling · 2017 · 797 citations · Full text

, , +17

1–5 of 564

Authors

2.2K

  1. PJ
    Pedro J. Ballester

    Inserm, France

    14 publications · 1.8K citations

    14

    h-index

  2. TH
    Tingjun Hou

    Zhejiang University, China

    11 publications · 840 citations

    11

    h-index

  3. HL
    Hongjian Li

    Chinese University of Hong Kong, Hong Kong SAR China

    9 publications · 1K citations

    9

    h-index

  4. DC
    Dongsheng Cao

    Central South University, China

    9 publications · 639 citations

    9

    h-index

  5. CS
    Chao Shen

    Zhejiang University, China

    9 publications · 773 citations

    9

    h-index

1–5 of 2.2K

Institutions

899

  1. Centre National de la Recherche Scientifique

    Paris, France

    16 h-index

    28 publications

    3.1K citations

  2. Inserm

    Paris, France

    13 h-index

    27 publications

    2.9K citations

  3. Central South University

    Changsha, China

    12 h-index

    41 publications

    2.2K citations

  4. Centre de Recherche en Cancérologie de Marseille

    Marseille, France

    11 h-index

    15 publications

    1.4K citations

  5. Zhejiang University

    Hangzhou, China

    11 h-index

    67 publications

    3.8K citations

  6. Chinese University of Hong Kong

    Hong Kong, Hong Kong

    10 h-index

    36 publications

    3.6K citations

  7. Michigan State University

    East Lansing, United States

    10 h-index

    27 publications

    1.2K citations

  8. Mahidol University

    Bangkok, Thailand

    9 h-index

    23 publications

    1.6K citations

1–8 of 899

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 48 publications · 5K citations

    32

    h-index

  2. Bioinformatics

    17 publications · 2K citations

    17

    h-index

  3. BMC Bioinformatics

    18 publications · 1.4K citations

    16

    h-index

  4. Briefings in Bioinformatics

    16 publications · 1.2K citations

    15

    h-index

  5. arXiv (Cornell University)

    Repository · 13 publications · 1K citations

    12

    h-index

1–5