Concepedia

Multi-target Activity Cliffs

Multi-Target Activity Cliffs is a chemical structure-activity relationship concept in which a small structural change between two compounds results in large, divergent shifts in biological activity across multiple distinct molecular targets, distinguishing it from single-target activity cliffs by its multi-pharmacological context.

11

Publications

325

Citations

23

Authors

8

Institutions

Publications per year

2017–2026

2

Parents

Publications

11

Multitarget Structure–Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure

José L. Medina‐Franco, Austin B. Yongye, Jaime Pérez‐Villanueva et al. · Journal of Chemical Information and Modeling · 2011 · 59 citations

, , +17

Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions

Dilyana Dimova, Mathias J. Wawer, Anne Mai Wassermann et al. · Journal of Chemical Information and Modeling · 2011 · 49 citations

, , +17

Molecular Scaffolds with High Propensity to Form Multi-Target Activity Cliffs

Ye Hu, Jürgen Bajorath · Journal of Chemical Information and Modeling · 2010 · 48 citations

, , +17

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps

Oscar Méndez‐Lucio, Jaime Pérez‐Villanueva, Rafael Castillo et al. · Molecular Informatics · 2012 · 36 citations

, , +17

Comprehensive Analysis of Single‐ and Multi‐Target Activity Cliffs Formed by Currently Available Bioactive Compounds

Anne Mai Wassermann, Dilyana Dimova, Jürgen Bajorath · Chemical Biology & Drug Design · 2011 · 33 citations

, , +15

1–5 of 11

Authors

23

  1. JB
    Jürgen Bajorath

    University of Bonn, Germany

    6 publications · 175 citations

    7

    h-index

  2. JL
    José L. Medina‐Franco

    Universidad Nacional Autónoma de México, Mexico

    4 publications · 140 citations

    4

    h-index

  3. DD
    Dilyana Dimova

    University of Bonn, Germany

    3 publications · 96 citations

    3

    h-index

  4. JP
    Jaime Pérez‐Villanueva

    Universidad Nacional Autónoma de México, Mexico

    2 publications · 95 citations

    2

    h-index

  5. AB
    Austin B. Yongye

    Torrey Pines Institute For Molecular Studies, United States

    2 publications · 78 citations

    2

    h-index

1–5 of 23

Institutions

8

  1. University of Bonn

    Bonn, Germany

    7 h-index

    14 publications

    434 citations

  2. Torrey Pines Institute For Molecular Studies

    San Diego, United States

    3 h-index

    12 publications

    405 citations

  3. Universidad Nacional Autónoma de México

    Mexico City, Mexico

    2 h-index

    3 publications

    98 citations

  4. Bonn Aachen International Center for Information Technology

    Bonn, Germany

    1 h-index

    2 publications

    28 citations

  5. Emergent BioSolutions (Canada)

    Winnipeg, Canada

    1 h-index

    2 publications

    66 citations

  6. University of New Mexico

    Albuquerque, United States

    1 h-index

    3 publications

    57 citations

  7. University of Cambridge

    Cambridge, United Kingdom

    1 h-index

    2 publications

    52 citations

  8. Vrije Universiteit Amsterdam

    Amsterdam, The Netherlands

    1 h-index

    2 publications

    52 citations

1–8 of 8

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 5 publications · 201 citations

    5

    h-index

  2. Chemical Biology & Drug Design

    3 publications · 64 citations

    3

    h-index

  3. ChemMedChem

    1 publications · 14 citations

    1

    h-index

  4. Molecular Informatics

    1 publications · 36 citations

    1

    h-index

  5. Journal of Computer-Aided Molecular Design

    1 publications · 10 citations

1–5