Concepedia

Structural Analogue Identification

Structural Analogue Identification is the systematic process of identifying chemical compounds that exhibit significant structural similarity to a target compound, serving as the foundational step in read-across assessments to inform toxicity or property predictions through shared molecular features.

37

Publications

1.4K

Citations

226

Authors

78

Institutions

Publications per year

2017–2026

10

Parents

Publications

37

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

Florian Huber, Lars Ridder, Stefan Verhoeven et al. · PLoS Computational Biology · 2021 · 232 citations · Full text

, , +16

Discovery of 4-Substituted Pyrrolidone Butanamides as New Agents with Significant Antiepileptic Activity

Benoît Kenda, Alain Matagne, Patrice Talaga et al. · Journal of Medicinal Chemistry · 2003 · 225 citations · Full text

, , +13

Discovery of Small-Molecule Inhibitors Selectively Targeting the DNA-Binding Domain of the Human Androgen Receptor

Huifang Li, Fuqiang Ban, Kush Dalal et al. · Journal of Medicinal Chemistry · 2014 · 119 citations · Full text

, , +17

Primary structure of cobra complement component C3

David C. Fritzinger, Eugene C. Petrella, M B Connelly et al. · The Journal of Immunology · 1992 · 57 citations · Full text

, , +14

Resonance Raman Studies of HOO−Co(III)Bleomycin and Co(III)Bleomycin:  Identification of Two Important Vibrational Modes, ν(Co−OOH) and ν(O−OH)

Cynthia Rajani, James R. Kincaid, David H. Petering · Journal of the American Chemical Society · 2004 · 52 citations

, , +15

1–5 of 37

Authors

226

  1. TW
    Tai Wei Ly

    National Health Research Institutes, Taiwan

    2 publications · 29 citations

    2

    h-index

  2. SR
    Simon Rogers

    University of Glasgow, United Kingdom

    2 publications · 259 citations

    2

    h-index

  3. JH
    Jurriaan H. Spaaks

    Netherlands eScience Center, Netherlands

    2 publications · 259 citations

    2

    h-index

  4. FD
    F. Diblen

    University of Glasgow, United Kingdom

    2 publications · 259 citations

    2

    h-index

  5. HL
    Hsing‐Jang Liu

    University of Alberta, Canada

    2 publications · 29 citations

    2

    h-index

1–5 of 226

Institutions

78

  1. University of Glasgow

    Glasgow, United Kingdom

    2 h-index

    2 publications

    259 citations

  2. Wageningen University & Research

    Wageningen, The Netherlands

    2 h-index

    2 publications

    259 citations

  3. Netherlands eScience Center

    Amsterdam, The Netherlands

    2 h-index

    10 publications

    1.3K citations

  4. UCLouvain

    Louvain-la-Neuve, Belgium

    2 h-index

    9 publications

    435 citations

  5. Helmholtz Centre for Infection Research

    Braunschweig, Germany

    2 h-index

    4 publications

    97 citations

  6. National Health Research Institutes

    Hsinchu, Taiwan

    2 h-index

    13 publications

    193 citations

  7. Purdue University West Lafayette

    West Lafayette, United States

    1 h-index

    3 publications

    78 citations

  8. National University of Singapore

    Singapore, Singapore

    1 h-index

    4 publications

    196 citations

1–8 of 78

Venues

  1. Journal of Medicinal Chemistry

    4 publications · 386 citations

    4

    h-index

  2. European Journal of Organic Chemistry

    2 publications · 34 citations

    2

    h-index

  3. Organic Letters

    OL · 2 publications · 29 citations

    2

    h-index

  4. Molecular Diversity

    1 publications · 43 citations

    1

    h-index

  5. Journal of Natural Products

    1 publications · 17 citations

    1

    h-index

1–5