Concepedia

Computational Synthesis Planning

Computational Synthesis Planning is a computational method that systematically identifies feasible synthetic routes to a target molecule by applying algorithms to evaluate and prioritize chemical transformations within the broader context of synthetic accessibility optimization.

107

Publications

11.9K

Citations

370

Authors

160

Institutions

Publications per year

2017–2026

68

Variants

CaspComputer-aided Synthesis Planning

Parents

Publications

107

Planning chemical syntheses with deep neural networks and symbolic AI

Marwin Segler, Mark P. Waller · Nature · 2018 · 1.9K citations · Full text

, , +16

Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction

ACS Central Science · 2019 · 866 citations · Full text

, , +13

Machine Learning in Computer-Aided Synthesis Planning

Connor W. Coley, William H. Green, Klavs F. Jensen · Accounts of Chemical Research · 2018 · 777 citations

, , +10

Computer-Assisted Design of Complex Organic Syntheses

E. J. Corey, W. Todd Wipke · Science · 1969 · 718 citations

, , +14

Augmenting large language models with chemistry tools

Andres M. Bran, Sam Cox, Oliver Schilter et al. · Nature Machine Intelligence · 2024 · 581 citations · Full text

, , +12

1–5 of 107

Authors

370

  1. CW
    Connor W. Coley

    Massachusetts Institute of Technology, United States

    10 publications · 2.3K citations

    10

    h-index

  2. BA
    Bartosz A. Grzybowski

    Northwestern University, United States

    9 publications · 766 citations

    9

    h-index

  3. JR
    Jean‐Louis Reymond

    University of Bern, Switzerland

    7 publications · 625 citations

    7

    h-index

  4. OE
    Ola Engkvist

    AstraZeneca (Sweden), Sweden

    6 publications · 783 citations

    6

    h-index

  5. SS
    Sara Szymkuć

    Polish Academy of Sciences, Poland

    6 publications · 533 citations

    6

    h-index

1–5 of 370

Institutions

160

  1. Institute of Organic Chemistry

    Warsaw, Poland

    10 h-index

    39 publications

    5.2K citations

  2. Polish Academy of Sciences

    Warsaw, Poland

    10 h-index

    38 publications

    4.9K citations

  3. Ulsan National Institute of Science and Technology

    Ulsan, South Korea

    9 h-index

    9 publications

    766 citations

  4. Massachusetts Institute of Technology

    Cambridge, United States

    8 h-index

    23 publications

    6K citations

  5. University of Bern

    Bern, Switzerland

    7 h-index

    16 publications

    1.3K citations

  6. AstraZeneca (Sweden)

    Södertälje, Sweden

    6 h-index

    19 publications

    2.3K citations

  7. IBM Research - Zurich

    Rüschlikon, Switzerland

    6 h-index

    15 publications

    2.2K citations

  8. University of Toronto

    Toronto, Canada

    5 h-index

    42 publications

    3K citations

1–8 of 160

Venues

  1. Science

    6 publications · 1.4K citations

    6

    h-index

  2. Chemical Science

    6 publications · 610 citations

    6

    h-index

  3. ChemRxiv

    Repository · 5 publications · 275 citations

    5

    h-index

  4. Nature Communications

    5 publications · 425 citations

    5

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 4 publications · 528 citations

    4

    h-index

1–5