Concepedia

Template-based Retrosynthesis

Template-Based Retrosynthesis is a retrosynthetic analysis method that identifies viable precursor molecules by matching structural subpatterns in a target compound to a library of predefined, rule-based reaction templates derived from known chemical transformations.

33

Publications

4.5K

Citations

97

Authors

42

Institutions

Publications per year

2017–2026

28

Parents

Publications

33

A synthetic method for formyl→ethynyl conversion (RCHO→RCCH or RCCR′)

E. J. Corey, P.L. Fuchs · Tetrahedron Letters · 1972 · 1.6K citations

, , +7

Prediction of Organic Reaction Outcomes Using Machine Learning

Connor W. Coley, Regina Barzilay, Tommi Jaakkola et al. · ACS Central Science · 2017 · 823 citations · Full text

, , +15

Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang et al. · Journal of Chemical Information and Modeling · 2019 · 294 citations · Full text

, , +10

Automatic retrosynthetic route planning using template-free models

Kangjie Lin, Youjun Xu, Jianfeng Pei et al. · Chemical Science · 2020 · 254 citations · Full text

, , +12

RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application

Connor W. Coley, William H. Green, Klavs F. Jensen · Journal of Chemical Information and Modeling · 2019 · 225 citations · Full text

, , +14

1–5 of 33

Authors

97

  1. CW
    Connor W. Coley

    Massachusetts Institute of Technology, United States

    5 publications · 1.2K citations

    5

    h-index

  2. OE
    Ola Engkvist

    AstraZeneca (Sweden), Sweden

    4 publications · 302 citations

    4

    h-index

  3. EJ
    Esben Jannik Bjerrum

    AstraZeneca (Sweden), Sweden

    4 publications · 323 citations

    4

    h-index

  4. WH
    William H. Green

    Massachusetts Institute of Technology, United States

    4 publications · 1.1K citations

    4

    h-index

  5. SG
    Samuel Genheden

    Lund University, Sweden

    4 publications · 173 citations

    4

    h-index

1–5 of 97

Institutions

42

  1. AstraZeneca (Sweden)

    Södertälje, Sweden

    6 h-index

    23 publications

    1.4K citations

  2. Massachusetts Institute of Technology

    Cambridge, United States

    5 h-index

    17 publications

    5.2K citations

  3. Peking University

    Beijing, China

    3 h-index

    8 publications

    1.2K citations

  4. Sun Yat-sen University

    Guangzhou, China

    3 h-index

    13 publications

    1.8K citations

  5. University of Bern

    Bern, Switzerland

    3 h-index

    6 publications

    540 citations

  6. AstraZeneca (Brazil)

    São Paulo, Brazil

    2 h-index

    5 publications

    729 citations

  7. University of Zurich

    Zurich, Switzerland

    2 h-index

    4 publications

    224 citations

  8. HEC Montréal

    Montreal, Canada

    2 h-index

    2 publications

    87 citations

1–8 of 42

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 7 publications · 724 citations

    7

    h-index

  2. ChemRxiv

    Repository · 4 publications · 141 citations

    4

    h-index

  3. Tetrahedron Letters

    3 publications · 1.6K citations

    3

    h-index

  4. JACS Au

    2 publications · 208 citations

    2

    h-index

  5. arXiv (Cornell University)

    Repository · 2 publications · 120 citations

    2

    h-index

1–5