Literature DB >> 26201735

Cheminformatics: Computing target complexity.

Johann Gasteiger1.   

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Year:  2015        PMID: 26201735     DOI: 10.1038/nchem.2311

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


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  4 in total

1.  Computer-assisted design of complex organic syntheses.

Authors:  E J Corey; W T Wipke
Journal:  Science       Date:  1969-10-10       Impact factor: 47.728

2.  Second-generation de novo design: a view from a medicinal chemist perspective.

Authors:  Andrea Zaliani; Krisztina Boda; Thomas Seidel; Achim Herwig; Christof H Schwab; Johann Gasteiger; Holger Claussen; Christian Lemmen; Jörg Degen; Juri Pärn; Matthias Rarey
Journal:  J Comput Aided Mol Des       Date:  2009-06-27       Impact factor: 3.686

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

Authors:  Jun Li; Martin D Eastgate
Journal:  Org Biomol Chem       Date:  2015-05-12       Impact factor: 3.876

4.  Structure and reaction based evaluation of synthetic accessibility.

Authors:  Krisztina Boda; Thomas Seidel; Johann Gasteiger
Journal:  J Comput Aided Mol Des       Date:  2007-02-09       Impact factor: 4.179

  4 in total
  4 in total

1.  Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists.

Authors:  David Rodríguez; Saibal Chakraborty; Eugene Warnick; Steven Crane; Zhan-Guo Gao; Robert O'Connor; Kenneth A Jacobson; Jens Carlsson
Journal:  ACS Chem Biol       Date:  2016-08-22       Impact factor: 5.100

2.  Synthesis and the Nobel Prize in Chemistry.

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

3.  Probing the local conformational flexibility in receptor recognition: mechanistic insight from an atomic-scale investigation.

Authors:  Fei Ding; Wei Peng
Journal:  RSC Adv       Date:  2019-05-07       Impact factor: 4.036

4.  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

  4 in total

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