Concepedia

Descriptor-based Modeling

Descriptor-Based Modeling is a computational approach within structure-activity relationship analysis that employs molecular descriptors to quantify and predict the biological activity of chemical compounds by correlating their physicochemical properties with observed potency changes, particularly in the context of activity cliffs.

1K

Publications

57.4K

Citations

2.8K

Authors

1K

Institutions

Publications per year

2017–2026

252

Parents

Publications

1K

DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis

Thomas Sander, Joël Freyss, Modest von Korff et al. · Journal of Chemical Information and Modeling · 2015 · 1.8K citations

, , +17

Escape from Flatland 2: complexity and promiscuity

Frank Lovering · MedChemComm · 2012 · 1.4K citations

, , +12

Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts

Xiangyu Guo, Jinxing Gu, Shiru Lin et al. · Journal of the American Chemical Society · 2020 · 1.1K citations

, , +17

Computation of Octanol−Water Partition Coefficients by Guiding an Additive Model with Knowledge

Tiejun Cheng, Yuan Zhao, Xun Li et al. · Journal of Chemical Information and Modeling · 2007 · 899 citations

, , +17

DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences

Ingoo Lee, Jongsoo Keum, Hojung Nam · PLoS Computational Biology · 2019 · 700 citations · Full text

, , +12

1–5 of 1K

Authors

2.8K

  1. KR
    Kunal Roy

    Jadavpur University, India

    30 publications · 1.3K citations

    21

    h-index

  2. PG
    Paola Gramatica

    University of Insubria, Italy

    20 publications · 2K citations

    18

    h-index

  3. AA
    Andrey A. Toropov

    Mario Negri Institute for Pharmacological Research, Italy

    24 publications · 649 citations

    17

    h-index

  4. PC
    Peter C. Jurs

    Pennsylvania State University, United States

    18 publications · 1.1K citations

    16

    h-index

  5. SC
    Subhash C. Basak

    University of Minnesota, Duluth, United States

    21 publications · 763 citations

    16

    h-index

1–5 of 2.8K

Institutions

1K

  1. Jadavpur University

    Kolkata, India

    21 h-index

    64 publications

    2.6K citations

  2. Mario Negri Institute for Pharmacological Research

    Milan, Italy

    18 h-index

    86 publications

    2.5K citations

  3. Pennsylvania State University

    State College, United States

    17 h-index

    51 publications

    2.7K citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    15 h-index

    55 publications

    2.8K citations

  5. University of Minnesota, Duluth

    Duluth, United States

    14 h-index

    51 publications

    2K citations

  6. University of Insubria

    Varese, Italy

    13 h-index

    33 publications

    4.1K citations

  7. Liverpool John Moores University

    Liverpool, United Kingdom

    12 h-index

    26 publications

    1.2K citations

  8. Consejo Nacional de Investigaciones Científicas y Técnicas

    Buenos Aires, Argentina

    12 h-index

    42 publications

    1.2K citations

1–8 of 1K

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 82 publications · 8.8K citations

    46

    h-index

  2. 44

    h-index

  3. SAR and QSAR in environmental research

    78 publications · 2.3K citations

    30

    h-index

  4. Journal of Medicinal Chemistry

    27 publications · 3.5K citations

    23

    h-index

  5. International Journal of Molecular Sciences

    IJMS · 26 publications · 952 citations

    20

    h-index

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