Literature DB >> 21378798

The 'wired' universe of organic chemistry.

Bartosz A Grzybowski1, Kyle J M Bishop, Bartlomiej Kowalczyk, Christopher E Wilmer.   

Abstract

The millions of reactions performed and compounds synthesized by organic chemists over the past two centuries connect to form a network larger than the metabolic networks of higher organisms and rivalling the complexity of the World Wide Web. Despite its apparent randomness, the network of chemistry has a well-defined, modular architecture. The network evolves in time according to trends that have not changed since the inception of the discipline, and thus project into chemistry's future. Analysis of organic chemistry using the tools of network theory enables the identification of most 'central' organic molecules, and for the prediction of which and how many molecules will be made in the future. Statistical analyses based on network connectivity are useful in optimizing parallel syntheses, in estimating chemical reactivity, and more.

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Year:  2009        PMID: 21378798     DOI: 10.1038/nchem.136

Source DB:  PubMed          Journal:  Nat Chem        ISSN: 1755-4330            Impact factor:   24.427


  8 in total

1.  The large-scale organization of metabolic networks.

Authors:  H Jeong; B Tombor; R Albert; Z N Oltvai; A L Barabási
Journal:  Nature       Date:  2000-10-05       Impact factor: 49.962

2.  The web of human sexual contacts.

Authors:  F Liljeros; C R Edling; L A Amaral; H E Stanley; Y Aberg
Journal:  Nature       Date:  2001-06-21       Impact factor: 49.962

3.  Architecture and evolution of organic chemistry.

Authors:  Marcin Fialkowski; Kyle J M Bishop; Victor A Chubukov; Christopher J Campbell; Bartosz A Grzybowski
Journal:  Angew Chem Int Ed Engl       Date:  2005-11-11       Impact factor: 15.336

4.  Rapid evaluation of synthetic and molecular complexity for in silico chemistry.

Authors:  Tharun Kumar Allu; Tudor I Oprea
Journal:  J Chem Inf Model       Date:  2005 Sep-Oct       Impact factor: 4.956

5.  The core and most useful molecules in organic chemistry.

Authors:  Kyle J M Bishop; Rafal Klajn; Bartosz A Grzybowski
Journal:  Angew Chem Int Ed Engl       Date:  2006-08-11       Impact factor: 15.336

6.  Optimization by simulated annealing.

Authors:  S Kirkpatrick; C D Gelatt; M P Vecchi
Journal:  Science       Date:  1983-05-13       Impact factor: 47.728

7.  The Art and Science of Total Synthesis at the Dawn of the Twenty-First Century.

Authors: 
Journal:  Angew Chem Int Ed Engl       Date:  2000-01       Impact factor: 15.336

8.  Controllable donor-acceptor neutral [2]rotaxanes.

Authors:  Takahiro Iijima; Scott A Vignon; Hsian-Rong Tseng; Thibaut Jarrosson; Jeremy K M Sanders; Filippo Marchioni; Margherita Venturi; Emanuela Apostoli; Vincenzo Balzani; J Fraser Stoddart
Journal:  Chemistry       Date:  2004-12-03       Impact factor: 5.236

  8 in total
  17 in total

1.  Blueprinting macromolecular electronics.

Authors:  Carlos-Andres Palma; Paolo Samorì
Journal:  Nat Chem       Date:  2011-06       Impact factor: 24.427

Review 2.  Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review.

Authors:  Peter Csermely; Tamás Korcsmáros; Huba J M Kiss; Gábor London; Ruth Nussinov
Journal:  Pharmacol Ther       Date:  2013-02-04       Impact factor: 12.310

3.  Choosing experiments to accelerate collective discovery.

Authors:  Andrey Rzhetsky; Jacob G Foster; Ian T Foster; James A Evans
Journal:  Proc Natl Acad Sci U S A       Date:  2015-11-09       Impact factor: 11.205

4.  Theoretical aspects of binary and ternary complexes of aziridine···ammonia ruled by hydrogen bond strength.

Authors:  Boaz G Oliveira; Regiane C M U Araújo
Journal:  J Mol Model       Date:  2011-11-30       Impact factor: 1.810

5.  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

6.  Alternative methods of processing bio-feedstocks in formulated consumer product design.

Authors:  Nicolai Peremezhney; Philipp-Maximilian Jacob; Alexei Lapkin
Journal:  Front Chem       Date:  2014-05-13       Impact factor: 5.221

7.  Neural Networks for the Prediction of Organic Chemistry Reactions.

Authors:  Jennifer N Wei; David Duvenaud; Alán Aspuru-Guzik
Journal:  ACS Cent Sci       Date:  2016-10-14       Impact factor: 14.553

8.  An autonomous organic reaction search engine for chemical reactivity.

Authors:  Vincenza Dragone; Victor Sans; Alon B Henson; Jaroslaw M Granda; Leroy Cronin
Journal:  Nat Commun       Date:  2017-06-09       Impact factor: 14.919

9.  Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning.

Authors:  Xiaoxue Wang; Yujie Qian; Hanyu Gao; Connor W Coley; Yiming Mo; Regina Barzilay; Klavs F Jensen
Journal:  Chem Sci       Date:  2020-09-14       Impact factor: 9.825

10.  Molecular descriptor data explain market prices of a large commercial chemical compound library.

Authors:  Jaroslaw Polanski; Urszula Kucia; Roksana Duszkiewicz; Agata Kurczyk; Tomasz Magdziarz; Johann Gasteiger
Journal:  Sci Rep       Date:  2016-06-23       Impact factor: 4.379

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