Concepedia

Lead Optimization

Lead optimization is the iterative phase of preclinical drug discovery in which identified lead compounds are systematically modified and tested to enhance their potency, selectivity, pharmacokinetic properties, and safety profile.

6.6K

Publications

326.9K

Citations

42.2K

Authors

4.2K

Institutions

Publications per year

2017–2026

2.2K

Parents

Children

Publications

6.6K

The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates

Stephen D. Roughley, Allan M. Jordan · Journal of Medicinal Chemistry · 2011 · 2.7K citations

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ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

Guo‐Li Xiong, Jiacai Yi, Li Fu et al. · Nucleic Acids Research · 2021 · 2.7K citations · Full text

, , +16

The Problem of Overfitting

Douglas M. Hawkins · Journal of Chemical Information and Computer Sciences · 2003 · 2.4K citations

, , +5

Identification of Selective Inhibitors of Cancer Stem Cells by High-Throughput Screening

Piyush B. Gupta, Tamer T. Önder, Guozhi Jiang et al. · Cell · 2009 · 2.4K citations · Full text

, , +14

A Critical Assessment of Docking Programs and Scoring Functions

Gregory L. Warren, C. Webster Andrews, Anna‐Maria Capelli et al. · Journal of Medicinal Chemistry · 2005 · 1.7K citations

, , +17

1–5 of 6.6K

Authors

42.2K

  1. ED
    Erik De Clercq

    Rega Institute for Medical Research, Belgium

    35 publications · 1.5K citations

    21

    h-index

  2. HJ
    Hualiang Jiang

    Shanghai Institute of Materia Medica, China

    26 publications · 1.2K citations

    20

    h-index

  3. IH
    Ian H. Gilbert

    University of Dundee, United Kingdom

    24 publications · 1K citations

    19

    h-index

  4. SA
    Susan A. Charman

    Monash University, Australia

    19 publications · 1.4K citations

    19

    h-index

  5. FG
    Francisco‐Javier Gamo

    GlaxoSmithKline (Spain), Spain

    22 publications · 2.3K citations

    18

    h-index

1–5 of 42.2K

Institutions

4.2K

  1. Pfizer (United States)

    New York, United States

    47 h-index

    1.3K publications

    83K citations

  2. Scripps Research Institute

    San Diego, United States

    42 h-index

    291 publications

    24.9K citations

  3. AstraZeneca (United Kingdom)

    Cambridge, United Kingdom

    41 h-index

    885 publications

    46.2K citations

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

    Rahway, United States

    40 h-index

    1.9K publications

    81.1K citations

  5. GlaxoSmithKline (United Kingdom)

    London, United Kingdom

    40 h-index

    712 publications

    60.4K citations

  6. Centre National de la Recherche Scientifique

    Paris, France

    40 h-index

    472 publications

    22K citations

  7. GlaxoSmithKline (United States)

    Philadelphia, United States

    38 h-index

    852 publications

    86.3K citations

  8. Novartis (Switzerland)

    Basel, Switzerland

    38 h-index

    536 publications

    37.3K citations

1–8 of 4.2K

Venues

  1. Journal of Medicinal Chemistry

    1.2K publications · 84.4K citations

    124

    h-index

  2. Bioorganic & Medicinal Chemistry Letters

    909 publications · 30.9K citations

    70

    h-index

  3. Bioorganic & Medicinal Chemistry

    352 publications · 13.2K citations

    57

    h-index

  4. European Journal of Medicinal Chemistry

    422 publications · 14.2K citations

    55

    h-index

  5. ACS Medicinal Chemistry Letters

    227 publications · 8.9K citations

    48

    h-index

1–5

See also

Lead Optimization

Core Methods

Evaluation

Design Objectives

Workflow Stages

Limitations