Concepedia

Substructure Keys

Substructure Keys is a binary molecular descriptor that encodes the presence or absence of predefined structural fragments within a chemical compound, distinguishing it from other descriptors by its discrete, fragment-based representation derived from a fixed set of substructural patterns.

5

Publications

1.2K

Citations

20

Authors

8

Institutions

Publications per year

2017–2026

2

Parents

Publications

5

Retrieval of Crystallographically-Derived Molecular Geometry Information

Ian Bruno, Jason C. Cole, M. Kessler et al. · Journal of Chemical Information and Computer Sciences · 2004 · 975 citations

, , +17

FP-ADMET: a compendium of fingerprint-based ADMET prediction models

Vishwesh Venkatraman · Journal of Cheminformatics · 2021 · 118 citations · Full text

, , +17

A Comparative QSAR Study Using CoMFA, HQSAR, and FRED/SKEYS Paradigms for Estrogen Receptor Binding Affinities of Structurally Diverse Compounds

Chris L. Waller · Journal of Chemical Information and Computer Sciences · 2004 · 100 citations

, , +17

Development of a TSR-Based Method for Protein 3-D Structural Comparison With Its Applications to Protein Classification and Motif Discovery

Sarika Kondra, Titli Sarkar, Vijay V. Raghavan et al. · Frontiers in Chemistry · 2021 · 18 citations · Full text

, , +17

Power Keys: A Novel Class of Topological Descriptors Based on Exhaustive Subgraph Enumeration and their Application in Substructure Searching

Pu Liu, Dimitris K. Agrafiotis, Dmitrii N. Rassokhin · Journal of Chemical Information and Modeling · 2011 · 11 citations

, , +17

1–5 of 5

Authors

20

  1. SE
    Stephanie E. Harris

    University of Bristol, United Kingdom

    1 publications · 975 citations

    1

    h-index

  2. AO
    A.G. Orpen

    University of Bristol, United Kingdom

    1 publications · 975 citations

    1

    h-index

  3. WX
    Wu Xu

    University of Louisiana at Lafayette, United States

    1 publications · 18 citations

    1

    h-index

  4. VV
    Vijay V. Raghavan

    University of Louisiana at Lafayette, United States

    1 publications · 18 citations

    1

    h-index

  5. DN
    Dmitrii N. Rassokhin

    Johnson & Johnson (United States), United States

    1 publications · 11 citations

    1

    h-index

1–5 of 20

Institutions

8

  1. Norwegian University of Science and Technology

    Trondheim, Norway

    1 h-index

    1 publications

    118 citations

  2. University of Oxford

    Oxford, United Kingdom

    1 h-index

    10 publications

    9.8K citations

  3. University of Bristol

    Bristol, United Kingdom

    1 h-index

    9 publications

    8.8K citations

  4. University of Louisiana at Lafayette

    Lafayette, United States

    1 h-index

    4 publications

    72 citations

  5. Cambridge Crystallographic Data Centre

    Cambridge, United Kingdom

    1 h-index

    10 publications

    9.8K citations

  6. Pfizer (United States)

    New York, United States

    1 h-index

    1 publications

    100 citations

  7. Mansfield University

    Mansfield, United States

    1 h-index

    10 publications

    9.8K citations

  8. Johnson & Johnson (United States)

    New Brunswick, United States

    1 h-index

    3 publications

    33 citations

1–8 of 8

Venues

  1. 2

    h-index

  2. Frontiers in Chemistry

    1 publications · 18 citations

    1

    h-index

  3. Journal of Cheminformatics

    1 publications · 118 citations

    1

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 1 publications · 11 citations

    1

    h-index

1–4