Concepedia

Activity Cliff Detection

Activity Cliff Detection is a computational method in structure-activity relationship analysis that identifies pairs of structurally similar compounds exhibiting a significant difference in biological activity, thereby delineating regions of abrupt potency change within chemical space.

61

Publications

2.7K

Citations

125

Authors

55

Institutions

Publications per year

2017–2026

19

Parents

Publications

61

Exploring Activity Cliffs in Medicinal Chemistry

Dagmar Stumpfe, Jürgen Bajorath · Journal of Medicinal Chemistry · 2012 · 365 citations · Full text

, , +14

Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry

Dagmar Stumpfe, Ye Hu, Dilyana Dimova et al. · Journal of Medicinal Chemistry · 2013 · 212 citations

, , +16

MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs

Xiaoying Hu, Ye Hu, Martin Vogt et al. · Journal of Chemical Information and Modeling · 2012 · 211 citations

, , +17

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

Maykel Cruz‐Monteagudo, José L. Medina‐Franco, Yunierkis Pérez‐Castillo et al. · Drug Discovery Today · 2014 · 192 citations

, , +9

Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs

Lisa Peltason, Preeti Iyer, Jürgen Bajorath · Journal of Chemical Information and Modeling · 2010 · 84 citations

, , +12

1–5 of 61

Authors

125

  1. JB
    Jürgen Bajorath

    University of Bonn, Germany

    37 publications · 1.8K citations

    22

    h-index

  2. DS
    Dagmar Stumpfe

    University of Bonn, Germany

    12 publications · 1.1K citations

    11

    h-index

  3. YH
    Ye Hu

    University of Bonn, Germany

    11 publications · 731 citations

    10

    h-index

  4. JL
    José L. Medina‐Franco

    Universidad Nacional Autónoma de México, Mexico

    6 publications · 339 citations

    6

    h-index

  5. MV
    Martin Vogt

    University of Bonn, Germany

    5 publications · 323 citations

    5

    h-index

1–5 of 125

Institutions

55

  1. University of Bonn

    Bonn, Germany

    22 h-index

    93 publications

    5.3K citations

  2. Universidad Nacional Autónoma de México

    Mexico City, Mexico

    3 h-index

    6 publications

    152 citations

  3. Mayo Clinic in Arizona

    Scottsdale, United States

    2 h-index

    2 publications

    204 citations

  4. Indiana University Bloomington

    Bloomington, United States

    2 h-index

    3 publications

    105 citations

  5. Nara Institute of Science and Technology

    Ikoma, Japan

    2 h-index

    6 publications

    114 citations

  6. Torrey Pines Institute For Molecular Studies

    San Diego, United States

    2 h-index

    11 publications

    369 citations

  7. University of Jordan

    Amman, Jordan

    2 h-index

    3 publications

    38 citations

  8. National Center for Advancing Translational Sciences

    Rockville, United States

    2 h-index

    2 publications

    53 citations

1–8 of 55

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 21 publications · 1K citations

    18

    h-index

  2. Journal of Medicinal Chemistry

    5 publications · 640 citations

    5

    h-index

  3. Journal of Computer-Aided Molecular Design

    4 publications · 106 citations

    4

    h-index

  4. Molecules

    3 publications · 61 citations

    3

    h-index

  5. Future Medicinal Chemistry

    FMC · 3 publications · 39 citations

    3

    h-index

1–5