Concepedia

Molecular Property Optimization

Molecular Property Optimization is a computational or experimental methodology within drug discovery that systematically refines the physicochemical and structural attributes of a lead compound to enhance its pharmacokinetic, pharmacodynamic, and safety profiles while maintaining target activity during preclinical candidate selection.

311

Publications

23.2K

Citations

2.3K

Authors

489

Institutions

Publications per year

2017–2026

140

Parents

Publications

311

Molecular Optimization Enables over 13% Efficiency in Organic Solar Cells

Wenchao Zhao, Sunsun Li, Huifeng Yao et al. · Journal of the American Chemical Society · 2017 · 2.8K citations

, , +17

admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

Hongbin Yang, Chaofeng Lou, Lixia Sun et al. · Bioinformatics · 2018 · 1.4K citations

, , +16

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

M. Paul Gleeson · Journal of Medicinal Chemistry · 2008 · 961 citations

, , +17

The Design of Leadlike Combinatorial Libraries

Simon J. Teague, A. M. Davis, Paul D. Leeson et al. · Angewandte Chemie International Edition · 1999 · 810 citations

, , +17

Is There a Difference between Leads and Drugs? A Historical Perspective

Tudor I. Oprea, A. M. Davis, Simon J. Teague et al. · Journal of Chemical Information and Computer Sciences · 2001 · 775 citations

, , +12

1–5 of 311

Authors

2.3K

  1. TH
    Tingjun Hou

    Zhejiang University, China

    3 publications · 73 citations

    5

    h-index

  2. EJ
    Esben Jannik Bjerrum

    AstraZeneca (Sweden), Sweden

    5 publications · 172 citations

    5

    h-index

  3. OE
    Ola Engkvist

    AstraZeneca (Sweden), Sweden

    5 publications · 194 citations

    5

    h-index

  4. DN
    David N. Beratan

    Duke University, United States

    4 publications · 340 citations

    4

    h-index

  5. PD
    Paul D. Leeson

    Merck & Co., Inc., Rahway, NJ, USA (United States), United States

    4 publications · 1.8K citations

    4

    h-index

1–5 of 2.3K

Institutions

489

  1. AstraZeneca (Sweden)

    Södertälje, Sweden

    11 h-index

    52 publications

    5.3K citations

  2. AstraZeneca (United Kingdom)

    Cambridge, United Kingdom

    10 h-index

    64 publications

    6.5K citations

  3. Pfizer (United States)

    New York, United States

    9 h-index

    83 publications

    5.3K citations

  4. Bayer (Germany)

    Leverkusen, Germany

    6 h-index

    67 publications

    5.9K citations

  5. GlaxoSmithKline (United Kingdom)

    London, United Kingdom

    6 h-index

    31 publications

    3.3K citations

  6. Zhejiang University

    Hangzhou, China

    5 h-index

    15 publications

    1.1K citations

  7. Novartis (Switzerland)

    Basel, Switzerland

    5 h-index

    8 publications

    420 citations

  8. GlaxoSmithKline (Ireland)

    Cork, Ireland

    4 h-index

    41 publications

    2.7K citations

1–8 of 489

Venues

  1. Journal of Medicinal Chemistry

    55 publications · 5K citations

    37

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 19 publications · 880 citations

    17

    h-index

  3. ACS Medicinal Chemistry Letters

    12 publications · 777 citations

    13

    h-index

  4. Bioorganic & Medicinal Chemistry Letters

    16 publications · 564 citations

    13

    h-index

  5. arXiv (Cornell University)

    Repository · 14 publications · 681 citations

    12

    h-index

1–5