Concepedia

Pharmacophore Refinement

Pharmacophore Refinement is a systematic optimization process in pharmacophore modeling whereby an initial pharmacophore hypothesis is iteratively modified—by adjusting, adding, or removing features and constraints in light of structure–activity, structural, and validation data—to improve its consistency with known ligands and its predictive performance in virtual screening and drug design.

325

Publications

13.3K

Citations

1.6K

Authors

483

Institutions

Publications per year

2017–2026

66

Parents

Children

Publications

325

ZINCPharmer: pharmacophore search of the ZINC database

David Ryan Koes, Carlos J. Camacho · Nucleic Acids Research · 2012 · 440 citations · Full text

, , +17

Pharmit: interactive exploration of chemical space

Jocelyn Sunseri, David Ryan Koes · Nucleic Acids Research · 2016 · 422 citations · Full text

, , +16

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists

Yvonne C. Martin, Mark G. Bures, Elizabeth A. Danaher et al. · Journal of Computer-Aided Molecular Design · 1993 · 405 citations

, , +12

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation

Gareth Jones, Peter Willett, Robert C. Glen · Journal of Computer-Aided Molecular Design · 1995 · 392 citations

, , +16

Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection

Probir Kumar Ojha, Kunal Roy · Chemometrics and Intelligent Laboratory Systems · 2011 · 245 citations

, , +14

1–5 of 325

Authors

1.6K

  1. SY
    Shengyong Yang

    Sichuan University, China

    7 publications · 265 citations

    7

    h-index

  2. LL
    Linli Li

    Sichuan University, China

    7 publications · 211 citations

    7

    h-index

  3. GW
    Gerhard Wolber

    Freie Universität Berlin, Germany

    5 publications · 348 citations

    5

    h-index

  4. KW
    Keun Woo Lee

    Gyeongsang National University, South Korea

    5 publications · 160 citations

    5

    h-index

  5. MO
    Mutasem O. Taha

    University of Jordan, Jordan

    4 publications · 153 citations

    4

    h-index

1–5 of 1.6K

Institutions

483

  1. Sichuan University

    Chengdu, China

    10 h-index

    70 publications

    2.3K citations

  2. China Pharmaceutical University

    Nanjing, China

    7 h-index

    38 publications

    1.1K citations

  3. Gyeongsang National University

    Jinju-si, South Korea

    6 h-index

    28 publications

    719 citations

  4. Chinese Academy of Sciences

    Beijing, China

    6 h-index

    19 publications

    1.1K citations

  5. Centre National de la Recherche Scientifique

    Paris, France

    5 h-index

    23 publications

    1K citations

  6. University of Jordan

    Amman, Jordan

    5 h-index

    9 publications

    382 citations

  7. University of Sheffield

    Sheffield, United Kingdom

    5 h-index

    13 publications

    1.6K citations

  8. Pfizer (United States)

    New York, United States

    5 h-index

    44 publications

    1.8K citations

1–8 of 483

Venues

  1. Journal of Medicinal Chemistry

    34 publications · 2.4K citations

    29

    h-index

  2. Bioorganic & Medicinal Chemistry Letters

    42 publications · 1.3K citations

    23

    h-index

  3. Journal of Computer-Aided Molecular Design

    24 publications · 1.8K citations

    19

    h-index

  4. European Journal of Medicinal Chemistry

    20 publications · 674 citations

    15

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 13 publications · 452 citations

    13

    h-index

1–5