Literature DB >> 20298522

The PubChem chemical structure sketcher.

Wolf D Ihlenfeldt1, Evan E Bolton, Stephen H Bryant.   

Abstract

PubChem is an important public, Web-based information source for chemical and bioactivity information. In order to provide convenient structure search methods on compounds stored in this database, one mandatory component is a Web-based drawing tool for interactive sketching of chemical query structures. Web-enabled chemical structure sketchers are not new, being in existence for years; however, solutions available rely on complex technology like Java applets or platform-dependent plug-ins. Due to general policy and support incident rate considerations, Java-based or platform-specific sketchers cannot be deployed as a part of public NCBI Web services. Our solution: a chemical structure sketching tool based exclusively on CGI server processing, client-side JavaScript functions, and image sequence streaming. The PubChem structure editor does not require the presence of any specific runtime support libraries or browser configurations on the client. It is completely platform-independent and verified to work on all major Web browsers, including older ones without support for Web2.0 JavaScript objects.

Entities:  

Year:  2009        PMID: 20298522      PMCID: PMC2820498          DOI: 10.1186/1758-2946-1-20

Source DB:  PubMed          Journal:  J Cheminform        ISSN: 1758-2946            Impact factor:   5.514


  1 in total

1.  Database resources of the National Center for Biotechnology Information.

Authors:  Eric W Sayers; Tanya Barrett; Dennis A Benson; Stephen H Bryant; Kathi Canese; Vyacheslav Chetvernin; Deanna M Church; Michael DiCuccio; Ron Edgar; Scott Federhen; Michael Feolo; Lewis Y Geer; Wolfgang Helmberg; Yuri Kapustin; David Landsman; David J Lipman; Thomas L Madden; Donna R Maglott; Vadim Miller; Ilene Mizrachi; James Ostell; Kim D Pruitt; Gregory D Schuler; Edwin Sequeira; Stephen T Sherry; Martin Shumway; Karl Sirotkin; Alexandre Souvorov; Grigory Starchenko; Tatiana A Tatusova; Lukas Wagner; Eugene Yaschenko; Jian Ye
Journal:  Nucleic Acids Res       Date:  2008-10-21       Impact factor: 16.971

  1 in total
  31 in total

1.  Many InChIs and quite some feat.

Authors:  Wendy A Warr
Journal:  J Comput Aided Mol Des       Date:  2015-06-17       Impact factor: 3.686

2.  CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures.

Authors:  Axel Drefahl
Journal:  J Cheminform       Date:  2011-01-07       Impact factor: 5.514

3.  A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): in silico and in vitro investigations.

Authors:  Sumit Kumar; Yash Gupta; Samantha E Zak; Charu Upadhyay; Neha Sharma; Andrew S Herbert; Ravi Durvasula; Vladimir Potemkin; John M Dye; Prakasha Kempaiah; Brijesh Rathi
Journal:  RSC Med Chem       Date:  2021-08-18

4.  Incorporation of non-natural amino acids improves cell permeability and potency of specific inhibitors of proteasome trypsin-like sites.

Authors:  Paul P Geurink; Wouter A van der Linden; Anne C Mirabella; Nerea Gallastegui; Gerjan de Bruin; Annet E M Blom; Mathias J Voges; Elliot D Mock; Bogdan I Florea; Gijs A van der Marel; Christoph Driessen; Mario van der Stelt; Michael Groll; Herman S Overkleeft; Alexei F Kisselev
Journal:  J Med Chem       Date:  2013-01-28       Impact factor: 7.446

Review 5.  Intracrine Regulation of Estrogen and Other Sex Steroid Levels in Endometrium and Non-gynecological Tissues; Pathology, Physiology, and Drug Discovery.

Authors:  Gonda Konings; Linda Brentjens; Bert Delvoux; Tero Linnanen; Karlijn Cornel; Pasi Koskimies; Marlies Bongers; Roy Kruitwagen; Sofia Xanthoulea; Andrea Romano
Journal:  Front Pharmacol       Date:  2018-09-19       Impact factor: 5.810

6.  Molecular structure input on the web.

Authors:  Peter Ertl
Journal:  J Cheminform       Date:  2010-02-02       Impact factor: 5.514

7.  Basic primitives for molecular diagram sketching.

Authors:  Alex M Clark
Journal:  J Cheminform       Date:  2010-10-05       Impact factor: 5.514

8.  Computational finding of potential inhibitor for Cytochrome P450 Mono-oxygenases Enzyme of Mycobacterium tuberculosis.

Authors:  Ashwani Sharma; Krishna K Subbias; Ophélie Robine; Indu Chaturvedi; Anshul Nigam; Nishant Sharma; Prem Prashant Chaudhary
Journal:  Bioinformation       Date:  2012-10-01

9.  Predicting biological functions of compounds based on chemical-chemical interactions.

Authors:  Le-Le Hu; Chen Chen; Tao Huang; Yu-Dong Cai; Kuo-Chen Chou
Journal:  PLoS One       Date:  2011-12-29       Impact factor: 3.240

10.  Structure-based classification and ontology in chemistry.

Authors:  Janna Hastings; Despoina Magka; Colin Batchelor; Lian Duan; Robert Stevens; Marcus Ennis; Christoph Steinbeck
Journal:  J Cheminform       Date:  2012-04-05       Impact factor: 5.514

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