Literature DB >> 26081259

Many InChIs and quite some feat.

Wendy A Warr1.   

Abstract

Mesh:

Year:  2015        PMID: 26081259     DOI: 10.1007/s10822-015-9854-3

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN: 0920-654X            Impact factor:   3.686


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  200 in total

1.  BindingDB and ChEMBL: online compound databases for drug discovery.

Authors:  Anne Mai Wassermann; Jürgen Bajorath
Journal:  Expert Opin Drug Discov       Date:  2011-04-21       Impact factor: 6.098

2.  SPECTRa: the deposition and validation of primary chemistry research data in digital repositories.

Authors:  Jim Downing; Peter Murray-Rust; Alan P Tonge; Peter Morgan; Henry S Rzepa; Fiona Cotterill; Nick Day; Matt J Harvey
Journal:  J Chem Inf Model       Date:  2008-07-29       Impact factor: 4.956

3.  Recent advances in the structure elucidation of small organic molecules by the LSD software.

Authors:  Bertrand Plainchont; Vicente de Paulo Emerenciano; Jean-Marc Nuzillard
Journal:  Magn Reson Chem       Date:  2013-06-09       Impact factor: 2.447

4.  AMBIT RESTful web services: an implementation of the OpenTox application programming interface.

Authors:  Nina Jeliazkova; Vedrin Jeliazkov
Journal:  J Cheminform       Date:  2011-05-16       Impact factor: 5.514

5.  The UV-filter benzophenone-1 inhibits 17beta-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals.

Authors:  Lyubomir G Nashev; Daniela Schuster; Christian Laggner; Seloni Sodha; Thierry Langer; Gerhard Wolber; Alex Odermatt
Journal:  Biochem Pharmacol       Date:  2009-12-11       Impact factor: 5.858

6.  Improving integrative searching of systems chemical biology data using semantic annotation.

Authors:  Bin Chen; Ying Ding; David J Wild
Journal:  J Cheminform       Date:  2012-03-08       Impact factor: 5.514

7.  Semantic Web integration of Cheminformatics resources with the SADI framework.

Authors:  Leonid L Chepelev; Michel Dumontier
Journal:  J Cheminform       Date:  2011-05-16       Impact factor: 5.514

8.  InChI, the IUPAC International Chemical Identifier.

Authors:  Stephen R Heller; Alan McNaught; Igor Pletnev; Stephen Stein; Dmitrii Tchekhovskoi
Journal:  J Cheminform       Date:  2015-05-30       Impact factor: 5.514

9.  Consensus and conflict cards for metabolic pathway databases.

Authors:  Miranda D Stobbe; Morris A Swertz; Ines Thiele; Trebor Rengaw; Antoine H C van Kampen; Perry D Moerland
Journal:  BMC Syst Biol       Date:  2013-06-26

10.  SuperToxic: a comprehensive database of toxic compounds.

Authors:  Ulrike Schmidt; Swantje Struck; Bjoern Gruening; Julia Hossbach; Ines S Jaeger; Roza Parol; Ulrike Lindequist; Eberhard Teuscher; Robert Preissner
Journal:  Nucleic Acids Res       Date:  2008-11-12       Impact factor: 16.971

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  5 in total

Review 1.  Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food Science.

Authors:  Piotr Minkiewicz; Małgorzata Darewicz; Anna Iwaniak; Justyna Bucholska; Piotr Starowicz; Emilia Czyrko
Journal:  Int J Mol Sci       Date:  2016-12-06       Impact factor: 5.923

2.  A possible extension to the RInChI as a means of providing machine readable process data.

Authors:  Philipp-Maximilian Jacob; Tian Lan; Jonathan M Goodman; Alexei A Lapkin
Journal:  J Cheminform       Date:  2017-04-11       Impact factor: 5.514

Review 3.  Annotation of Peptide Structures Using SMILES and Other Chemical Codes-Practical Solutions.

Authors:  Piotr Minkiewicz; Anna Iwaniak; Małgorzata Darewicz
Journal:  Molecules       Date:  2017-11-27       Impact factor: 4.411

Review 4.  Molecular representations in AI-driven drug discovery: a review and practical guide.

Authors:  Laurianne David; Amol Thakkar; Rocío Mercado; Ola Engkvist
Journal:  J Cheminform       Date:  2020-09-17       Impact factor: 5.514

5.  InChI version 1.06: now more than 99.99% reliable.

Authors:  Jonathan M Goodman; Igor Pletnev; Paul Thiessen; Evan Bolton; Stephen R Heller
Journal:  J Cheminform       Date:  2021-05-24       Impact factor: 5.514

  5 in total

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