Concepedia

Quantitative Structure-activity Relationships

Quantitative Structure-Activity Relationships is a computational methodology within drug design that employs mathematical models to correlate the structural and physicochemical properties of chemical compounds with their biological activities, distinguishing it from qualitative approaches by providing predictive, numerical assessments of activity based on molecular descriptors.

11.3K

Publications

561.1K

Citations

33.4K

Authors

5.2K

Institutions

Publications per year

2017–2026

3.2K

Variants

QsarQuantitative Structure-activity Relationship

Parents

Children

Publications

11.3K

Extended-Connectivity Fingerprints

David Rogers, Mathew Hahn · Journal of Chemical Information and Modeling · 2010 · 7.6K citations

, , +15

PubChem Substance and Compound databases

Sunghwan Kim, Paul Thiessen, Evan Bolton et al. · Nucleic Acids Research · 2015 · 5.5K citations · Full text

, , +16

A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases

Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski · Journal of Combinatorial Chemistry · 1998 · 3K citations

, , +14

PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

Chun Wei Yap · Journal of Computational Chemistry · 2010 · 3K citations · Full text

, , +15

Substituent Constants for Correlation Analysis in Chemistry and Biology.

Gordon L. Flynn · Journal of Pharmaceutical Sciences · 1980 · 2.8K citations

, , +12

1–5 of 11.3K

Authors

33.4K

  1. AT
    Alexander Tropsha

    University of North Carolina at Chapel Hill, United States

    66 publications · 12.5K citations

    49

    h-index

  2. KR
    Kunal Roy

    Jadavpur University, India

    122 publications · 7.4K citations

    43

    h-index

  3. MC
    M Cronin

    Liverpool John Moores University, United Kingdom

    78 publications · 6.9K citations

    41

    h-index

  4. PG
    Paola Gramatica

    University of Insubria, Italy

    62 publications · 10.9K citations

    39

    h-index

  5. CH
    Corwin Hansch

    Pomona College, United States

    78 publications · 8.5K citations

    37

    h-index

1–5 of 33.4K

Institutions

5.2K

  1. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    52 h-index

    310 publications

    42.5K citations

  2. Environmental Protection Agency

    Washington, United States

    49 h-index

    265 publications

    25.7K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    47 h-index

    505 publications

    25.1K citations

  4. Jadavpur University

    Kolkata, India

    45 h-index

    427 publications

    22.1K citations

  5. Liverpool John Moores University

    Liverpool, United Kingdom

    43 h-index

    213 publications

    16.4K citations

  6. National Institutes of Health

    Bethesda, United States

    42 h-index

    372 publications

    98.4K citations

  7. Research Triangle Park Foundation

    Durham, United States

    42 h-index

    199 publications

    25.4K citations

  8. Universidade de Santiago de Compostela

    Santiago de Compostela, Spain

    38 h-index

    196 publications

    14.5K citations

1–8 of 5.2K

Venues

  1. Journal of Medicinal Chemistry

    876 publications · 67K citations

    115

    h-index

  2. 88

    h-index

  3. Journal of Chemical Information and Modeling

    JCIM · 558 publications · 45.3K citations

    87

    h-index

  4. Bioorganic & Medicinal Chemistry

    313 publications · 13.2K citations

    63

    h-index

  5. European Journal of Medicinal Chemistry

    294 publications · 11.6K citations

    56

    h-index

1–5