Concepedia

Pairwise Compound Analysis

Pairwise Compound Analysis is a computational method in structure-activity relationship studies that systematically compares pairs of structurally similar compounds to identify activity cliffs by quantifying differences in biological potency attributable to small molecular modifications.

13

Publications

516

Citations

65

Authors

16

Institutions

Publications per year

2017–2026

2

Parents

Publications

13

High Throughput Method for the Indirect Detection of Intramolecular Hydrogen Bonding

Gilles H. Goetz, William Farrell, Marina Shalaeva et al. · Journal of Medicinal Chemistry · 2014 · 113 citations · Full text

, , +15

Evaluating the Differences in Cycloalkyl Ether Metabolism Using the Design Parameter “Lipophilic Metabolism Efficiency” (LipMetE) and a Matched Molecular Pairs Analysis

Antonia F. Stepan, Gregory W. Kauffman, Christopher Keefer et al. · Journal of Medicinal Chemistry · 2013 · 92 citations

, , +15

Structure–activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps

Jaime Pérez‐Villanueva, Radleigh G. Santos, Alicia Hernández‐Campos et al. · MedChemComm · 2010 · 87 citations

, , +17

Systematic and Pairwise Analysis of the Effects of Aromatic Halogenation and Trifluoromethyl Substitution on Human Liver Microsomal Clearance

Hao Sun, Christopher Keefer, Dennis O. Scott · Drug Metabolism Letters · 2011 · 44 citations

, , +14

Systematic Identification and Classification of Three-Dimensional Activity Cliffs

Ye Hu, Norbert Furtmann, Michael Gütschow et al. · Journal of Chemical Information and Modeling · 2012 · 30 citations

, , +17

1–5 of 13

Authors

65

  1. CK
    Christopher Keefer

    Pfizer (United States), United States

    2 publications · 136 citations

    2

    h-index

  2. RG
    Radleigh G. Santos

    Torrey Pines Institute For Molecular Studies, United States

    1 publications · 87 citations

    1

    h-index

  3. SS
    Simone Sciabola

    Pfizer (United States), United States

    1 publications · 113 citations

    1

    h-index

  4. VJ
    Valerie J. Gillet

    University of Sheffield, United Kingdom

    1 publications · 18 citations

    1

    h-index

  5. TD
    T.L. Deal

    Normandale Community College, United States

    1 publications · 17 citations

    1

    h-index

1–5 of 65

Institutions

16

  1. Pfizer (United States)

    New York, United States

    4 h-index

    21 publications

    1.5K citations

  2. University of Sheffield

    Sheffield, United Kingdom

    1 h-index

    2 publications

    36 citations

  3. Normandale Community College

    Bloomington, United States

    1 h-index

    7 publications

    119 citations

  4. National Institutes of Health

    Bethesda, United States

    1 h-index

    3 publications

    39 citations

  5. Novartis (Switzerland)

    Basel, Switzerland

    1 h-index

    2 publications

    42 citations

  6. University of Bonn

    Bonn, Germany

    1 h-index

    4 publications

    120 citations

  7. AstraZeneca (United Kingdom)

    Cambridge, United Kingdom

    1 h-index

    1 publications

    18 citations

  8. National Center for Biotechnology Information

    Bethesda, United States

    1 h-index

    3 publications

    39 citations

1–8 of 16

Venues

  1. Journal of Medicinal Chemistry

    2 publications · 205 citations

    2

    h-index

  2. MedChemComm

    2 publications · 104 citations

    2

    h-index

  3. Crystal Growth & Design

    1 publications · 17 citations

    1

    h-index

  4. Chemistry Central Journal

    1 publications · 21 citations

    1

    h-index

  5. Bioorganic & Medicinal Chemistry

    1 publications · 21 citations

    1

    h-index

1–5