Literature DB >> 15726161

Computer-aided organic synthesis.

Matthew H Todd1.   

Abstract

It is tempting for those in the field of organic synthesis to liken the process of retrosynthesis to a game of chess. That the world chess champion was recently defeated by a computer leads us to think that perhaps new and powerful computing methods could be applied to synthetic problems. Here the analogy between synthesis and chess is outlined. Achievements in the 35-year history of computer-aided synthetic design are described, followed by some more recent developments.

Entities:  

Mesh:

Substances:

Year:  2005        PMID: 15726161     DOI: 10.1039/b104620a

Source DB:  PubMed          Journal:  Chem Soc Rev        ISSN: 0306-0012            Impact factor:   54.564


  22 in total

Review 1.  Foundations for the design and implementation of synthetic genetic circuits.

Authors:  Adrian L Slusarczyk; Allen Lin; Ron Weiss
Journal:  Nat Rev Genet       Date:  2012-05-18       Impact factor: 53.242

2.  Finding the K best synthesis plans.

Authors:  Rolf Fagerberg; Christoph Flamm; Rojin Kianian; Daniel Merkle; Peter F Stadler
Journal:  J Cheminform       Date:  2018-04-05       Impact factor: 5.514

3.  The "OK, Molly" Chemistry.

Authors:  Yi Lu
Journal:  Acc Chem Res       Date:  2017-03-21       Impact factor: 22.384

4.  Planning chemical syntheses with deep neural networks and symbolic AI.

Authors:  Marwin H S Segler; Mike Preuss; Mark P Waller
Journal:  Nature       Date:  2018-03-28       Impact factor: 49.962

5.  Rapidly optimizing an aptamer based BoNT sensor by feedback system control (FSC) scheme.

Authors:  Fang Wei; Bin Bai; Chih-Ming Ho
Journal:  Biosens Bioelectron       Date:  2011-09-20       Impact factor: 10.618

6.  Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants.

Authors:  Yosuke Sumiya; Yu Harabuchi; Yuuya Nagata; Satoshi Maeda
Journal:  JACS Au       Date:  2022-04-22

7.  No electron left behind: a rule-based expert system to predict chemical reactions and reaction mechanisms.

Authors:  Jonathan H Chen; Pierre Baldi
Journal:  J Chem Inf Model       Date:  2009-09       Impact factor: 4.956

8.  Computational planning of the synthesis of complex natural products.

Authors:  Barbara Mikulak-Klucznik; Patrycja Gołębiowska; Alison A Bayly; Oskar Popik; Tomasz Klucznik; Sara Szymkuć; Ewa P Gajewska; Piotr Dittwald; Olga Staszewska-Krajewska; Wiktor Beker; Tomasz Badowski; Karl A Scheidt; Karol Molga; Jacek Mlynarski; Milan Mrksich; Bartosz A Grzybowski
Journal:  Nature       Date:  2020-10-13       Impact factor: 49.962

9.  AllChem: generating and searching 10(20) synthetically accessible structures.

Authors:  Richard D Cramer; Farhad Soltanshahi; Robert Jilek; Brian Campbell
Journal:  J Comput Aided Mol Des       Date:  2007-01-26       Impact factor: 4.179

10.  The future of molecular dynamics simulations in drug discovery.

Authors:  David W Borhani; David E Shaw
Journal:  J Comput Aided Mol Des       Date:  2011-12-20       Impact factor: 3.686

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.