Concepedia

Pharmacophore Validation

Pharmacophore Validation is a methodological procedure in pharmacophore modeling that evaluates, typically via retrospective virtual screening and statistical analysis, whether a pharmacophore model reliably discriminates active from inactive compounds and accurately accounts for observed structure–activity relationships.

146

Publications

5.5K

Citations

677

Authors

246

Institutions

Publications per year

2017–2026

32

Parents

Children

Publications

146

ProTox: a web server for the in silico prediction of rodent oral toxicity

Malgorzata N. Drwal, Priyanka Banerjee, Mathias Dunkel et al. · Nucleic Acids Research · 2014 · 718 citations · Full text

, , +16

Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach

Ying Xue, Chun Wei Yap, Lin Sun et al. · Journal of Chemical Information and Computer Sciences · 2004 · 159 citations

, , +15

Pharmacophore Mapping of a Series of 2,4-Diamino-5-deazapteridine Inhibitors of <i>Mycobacterium avium</i> Complex Dihydrofolate Reductase

Asim K. Debnath · Journal of Medicinal Chemistry · 2001 · 145 citations · Full text

, , +17

Characterization of biologically inactive spirolides E and F: Identification of the spirolide pharmacophore

Tingmo Hu, Jonathan M. Curtis, John A. Walter et al. · Tetrahedron Letters · 1996 · 137 citations

, , +7

Three-Dimensional-Quantitative Structure Activity Relationship Analysis of Cytochrome P-450 3A4 Substrates

Sean Ekins, Gianpaolo Bravi, James H. Wikel et al. · Journal of Pharmacology and Experimental Therapeutics · 1999 · 125 citations

, , +17

1–5 of 146

Authors

677

  1. DS
    Daniela Schuster

    Universität Innsbruck, Austria

    6 publications · 270 citations

    6

    h-index

  2. TL
    Thierry Langer

    Universität Innsbruck, Austria

    5 publications · 232 citations

    5

    h-index

  3. GW
    Gerhard Wolber

    Freie Universität Berlin, Germany

    4 publications · 153 citations

    4

    h-index

  4. JM
    Judith M. Rollinger

    Universität Innsbruck, Austria

    4 publications · 154 citations

    4

    h-index

  5. QY
    Qidong You

    China Pharmaceutical University, China

    3 publications · 33 citations

    3

    h-index

1–5 of 677

Institutions

246

  1. Universität Innsbruck

    Innsbruck, Austria

    7 h-index

    43 publications

    2.2K citations

  2. University of Vienna

    Vienna, Austria

    5 h-index

    16 publications

    502 citations

  3. China Pharmaceutical University

    Nanjing, China

    4 h-index

    15 publications

    165 citations

  4. Sichuan University

    Chengdu, China

    4 h-index

    21 publications

    492 citations

  5. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    11 publications

    665 citations

  6. Central Drug Research Institute

    Lucknow, India

    3 h-index

    10 publications

    309 citations

  7. China Medical University

    Taichung, Taiwan

    3 h-index

    10 publications

    375 citations

  8. University of Maryland, Baltimore

    Baltimore, United States

    3 h-index

    8 publications

    264 citations

1–8 of 246

Venues

  1. Journal of Medicinal Chemistry

    16 publications · 857 citations

    15

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 12 publications · 474 citations

    12

    h-index

  3. Bioorganic & Medicinal Chemistry Letters

    9 publications · 222 citations

    9

    h-index

  4. Journal of Biomolecular Structure and Dynamics

    6 publications · 134 citations

    6

    h-index

  5. Journal of Computer-Aided Molecular Design

    5 publications · 151 citations

    5

    h-index

1–5