Concepedia

Computational Lead Generation

Computational Lead Generation is a systematic methodology within lead compound design that employs computational techniques to identify and prioritize novel chemical entities with potential biological activity, distinguishing itself from experimental approaches by leveraging in silico models for efficient exploration of chemical space.

33

Publications

1.7K

Citations

164

Authors

66

Institutions

Publications per year

2017–2026

13

Parents

Publications

33

Automatic creation of drug candidate structures based on receptor structure. Starting point for artificial lead generation.

Yoshihiko Nishibata, Akiko Itai · Tetrahedron · 1991 · 174 citations

, , +16

Combining generative artificial intelligence and on-chip synthesis for de novo drug design

Francesca Grisoni, Berend J. H. Huisman, Alexander L. Button et al. · Science Advances · 2021 · 167 citations · Full text

, , +17

Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases

Kevin Williams, Elizabeth Bilsland, Andrew C. Sparkes et al. · Journal of The Royal Society Interface · 2015 · 162 citations · Full text

, , +16

Robust Generation of Lead Compounds for Protein–Protein Interactions by Computational and MCR Chemistry: p53/Hdm2 Antagonists

Anna Czarna, Barbara Beck, Stuti Srivastava et al. · Angewandte Chemie International Edition · 2010 · 134 citations · Full text

, , +17

Probing Integrin Selectivity: Rational Design of Highly Active and Selective Ligands for the α5β1 and αvβ3 Integrin Receptor

Dominik Heckmann, Axel Meyer, Luciana Marinelli et al. · Angewandte Chemie International Edition · 2007 · 99 citations

, , +17

1–5 of 33

Authors

164

  1. YH
    Yijun Huang

    University of Pittsburgh, United States

    2 publications · 158 citations

    2

    h-index

  2. EM
    Eugène Megnassan

    Université Nangui Abrogoua, Côte d’Ivoire

    2 publications · 159 citations

    2

    h-index

  3. AD
    Alexander Dömlingꝉ

    University of Groningen, Netherlands

    2 publications · 158 citations

    2

    h-index

  4. GS
    Gisbert Schneider

    ETH Zurich, Switzerland

    2 publications · 191 citations

    2

    h-index

  5. GM
    Grzegorz M. Popowicz

    Helmholtz Zentrum München, Germany

    2 publications · 158 citations

    2

    h-index

1–5 of 164

Institutions

66

  1. Université Nangui Abrogoua

    Abidjan, Ivory Coast

    2 h-index

    2 publications

    159 citations

  2. ETH Zurich

    Zurich, Switzerland

    2 h-index

    14 publications

    1.3K citations

  3. Goethe University Frankfurt

    Frankfurt am Main, Germany

    2 h-index

    2 publications

    191 citations

  4. Sanofi (Germany)

    Frankfurt am Main, Germany

    2 h-index

    7 publications

    215 citations

  5. Max Planck Institute of Biochemistry

    Martinsried, Germany

    2 h-index

    10 publications

    790 citations

  6. University of Buea

    Buea, Cameroon

    2 h-index

    7 publications

    576 citations

  7. University of Douala

    Douala, Cameroon

    2 h-index

    8 publications

    649 citations

  8. University of Pittsburgh

    Pittsburgh, United States

    2 h-index

    8 publications

    632 citations

1–8 of 66

Venues

  1. Journal of Medicinal Chemistry

    4 publications · 148 citations

    4

    h-index

  2. Journal of Cheminformatics

    3 publications · 126 citations

    3

    h-index

  3. Angewandte Chemie International Edition

    2 publications · 233 citations

    2

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 2 publications · 53 citations

    2

    h-index

  5. PubMed

    Repository · 1 publications · 56 citations

    1

    h-index

1–5