Concepedia

Reaction Pathway Optimization

Reaction Pathway Optimization is a computational or theoretical framework that systematically identifies the most energetically efficient sequence of elementary steps and transition states connecting reactants to products in a chemical transformation.

160

Publications

10.2K

Citations

602

Authors

267

Institutions

Publications per year

2017–2026

75

Parents

Publications

160

Bayesian reaction optimization as a tool for chemical synthesis

Benjamin J. Shields, Jason M. Stevens, Jun Li et al. · Nature · 2021 · 1K citations

, , +14

Parameter Estimation in Biochemical Pathways: A Comparison of Global Optimization Methods

Carmen G. Moles, Pedro Mendes, Julio R. Banga · Genome Research · 2003 · 872 citations · Full text

, , +16

Controlling an organic synthesis robot with machine learning to search for new reactivity

Jarosław M. Granda, Liva Donina, Vincenza Dragone et al. · Nature · 2018 · 776 citations · Full text

, , +12

An optimization framework for identifying reaction activation/inhibition or elimination candidates for overproduction in microbial systems

Priti Pharkya, Costas D. Maranas · Metabolic Engineering · 2005 · 334 citations

, , +17

Chemoselectivity and the Curious Reactivity Preferences of Functional Groups

Nicholas A. Afagh, Andrei K. Yudin · Angewandte Chemie International Edition · 2009 · 320 citations

, , +16

1–5 of 160

Authors

602

  1. SM
    Satoshi Maeda

    Hokkaido University, Japan

    9 publications · 677 citations

    9

    h-index

  2. WM
    Wolfgang Marquardt

    RWTH Aachen University, Germany

    4 publications · 250 citations

    4

    h-index

  3. KM
    Keiji Morokuma

    Emory University, United States

    4 publications · 450 citations

    4

    h-index

  4. BA
    Bartosz A. Grzybowski

    Northwestern University, United States

    4 publications · 262 citations

    4

    h-index

  5. HB
    H. Bernhard Schlegel

    Wayne State University, United States

    3 publications · 339 citations

    3

    h-index

1–5 of 602

Institutions

267

  1. Kyoto University

    Kyoto, Japan

    5 h-index

    14 publications

    1K citations

  2. Northwestern University

    Evanston, United States

    5 h-index

    22 publications

    1.6K citations

  3. Chinese Academy of Sciences

    Beijing, China

    5 h-index

    18 publications

    776 citations

  4. Hokkaido University

    Sapporo, Japan

    5 h-index

    17 publications

    658 citations

  5. RWTH Aachen University

    Aachen, Germany

    4 h-index

    10 publications

    544 citations

  6. Nanjing University

    Nanjing, China

    4 h-index

    15 publications

    1.3K citations

  7. Max Planck Society

    Munich, Germany

    3 h-index

    11 publications

    188 citations

  8. Massachusetts Institute of Technology

    Cambridge, United States

    3 h-index

    10 publications

    554 citations

1–8 of 267

Venues

  1. Angewandte Chemie International Edition

    7 publications · 918 citations

    7

    h-index

  2. Chemical Engineering Science

    5 publications · 289 citations

    6

    h-index

  3. Journal of the American Chemical Society

    JACS · 5 publications · 339 citations

    5

    h-index

  4. Computers & Chemical Engineering

    5 publications · 104 citations

    5

    h-index

  5. Chemical Science

    5 publications · 253 citations

    5

    h-index

1–5