Literature DB >> 25962620

Current complexity: a tool for assessing the complexity of organic molecules.

Jun Li1, Martin D Eastgate.   

Abstract

Molecular complexity for a synthetic organic chemist is difficult to define, though intuitively known. Despite the importance of this concept, the quantitative assessment of complexity within organic chemistry has remained a challenge. We report here on the development of an approach for generating a unique complexity index, which is reflective of both intrinsic molecular complexity and extrinsic synthetic complexity. This index is based on a community's perception of complexity, within the context of current technology, calculating a molecule's current complexity. Our approach allows for a direct comparison between molecules, the analysis of trends within research programs, it enables an assessment (and comparison) of new synthetic approaches to known molecules and is capable of following a molecule's apparent complexity as it changes over time.

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Year:  2015        PMID: 25962620     DOI: 10.1039/c5ob00709g

Source DB:  PubMed          Journal:  Org Biomol Chem        ISSN: 1477-0520            Impact factor:   3.876


  13 in total

1.  Cheminformatics: Computing target complexity.

Authors:  Johann Gasteiger
Journal:  Nat Chem       Date:  2015-08       Impact factor: 24.427

Review 2.  Navigating the Chiral Pool in the Total Synthesis of Complex Terpene Natural Products.

Authors:  Zachary G Brill; Matthew L Condakes; Chi P Ting; Thomas J Maimone
Journal:  Chem Rev       Date:  2017-03-15       Impact factor: 60.622

Review 3.  Natural Products in the "Marketplace": Interfacing Synthesis and Biology.

Authors:  Benjamin J Huffman; Ryan A Shenvi
Journal:  J Am Chem Soc       Date:  2019-02-13       Impact factor: 15.419

4.  Synthesis and the Nobel Prize in Chemistry.

Authors:  Jeffrey I Seeman
Journal:  Nat Chem       Date:  2017-09-22       Impact factor: 24.427

5.  Palladium-Catalyzed Reductive Heck Coupling of Alkenes.

Authors:  Lucas J Oxtoby; John A Gurak; Steven R Wisniewski; Martin D Eastgate; Keary M Engle
Journal:  Trends Chem       Date:  2019-06-20

6.  Synthetic, Mechanistic, and Biological Interrogation of Ginkgo biloba Chemical Space En Route to (-)-Bilobalide.

Authors:  Robert M Demoret; Meghan A Baker; Masaki Ohtawa; Shuming Chen; Ching Ching Lam; Sophia Khom; Marisa Roberto; Stefano Forli; Kendall N Houk; Ryan A Shenvi
Journal:  J Am Chem Soc       Date:  2020-10-16       Impact factor: 15.419

Review 7.  An invocation for computational evaluation of isomerization transforms: cationic skeletal reorganizations as a case study.

Authors:  Alexander W Schuppe; Yannan Liu; Timothy R Newhouse
Journal:  Nat Prod Rep       Date:  2020-09-15       Impact factor: 13.423

8.  mQC: A Heuristic Quality-Control Metric for High-Throughput Drug Combination Screening.

Authors:  Lu Chen; Kelli Wilson; Ian Goldlust; Bryan T Mott; Richard Eastman; Mindy I Davis; Xiaohu Zhang; Crystal McKnight; Carleen Klumpp-Thomas; Paul Shinn; John Simmons; Mike Gormally; Sam Michael; Craig J Thomas; Marc Ferrer; Rajarshi Guha
Journal:  Sci Rep       Date:  2016-11-24       Impact factor: 4.379

9.  Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist.

Authors:  Jeremy J Roach; Yusuke Sasano; Cullen L Schmid; Saheem Zaidi; Vsevolod Katritch; Raymond C Stevens; Laura M Bohn; Ryan A Shenvi
Journal:  ACS Cent Sci       Date:  2017-12-13       Impact factor: 14.553

10.  SYBA: Bayesian estimation of synthetic accessibility of organic compounds.

Authors:  Milan Voršilák; Michal Kolář; Ivan Čmelo; Daniel Svozil
Journal:  J Cheminform       Date:  2020-05-20       Impact factor: 5.514

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