Literature DB >> 18428094

Public chemical compound databases.

Anthony J Williams1.   

Abstract

The internet has rapidly become the first port of call for all information searches. The increasing array of chemistry-related resources that are now available provides chemists with a direct path to the information that was previously accessed via library services and was limited by commercial and costly resources. The diversity of the information that can be accessed online is expanding at a dramatic rate, and the support for publicly available resources offers significant opportunities in terms of the benefits to science and society. While the data online do not generally meet the quality standards of manually curated sources, there are efforts underway to gather scientists together and 'crowdsource' an improvement in the quality of the available data. This review discusses the types of public compound databases that are available online and provides a series of examples. Focus is also given to the benefits and disruptions associated with the increased availability of such data and the integration of technologies to data mine this information.

Mesh:

Year:  2008        PMID: 18428094

Source DB:  PubMed          Journal:  Curr Opin Drug Discov Devel        ISSN: 1367-6733


  29 in total

1.  Aspergillus Secondary Metabolite Database, a resource to understand the Secondary metabolome of Aspergillus genus.

Authors:  Varahalarao Vadlapudi; Nabajyoti Borah; Kanaka Raju Yellusani; Sriramya Gade; Prabhakar Reddy; Maheshwari Rajamanikyam; Lakshmi Narasimha Santosh Vempati; Satya Prakash Gubbala; Pankaj Chopra; Suryanarayana Murty Upadhyayula; Ramars Amanchy
Journal:  Sci Rep       Date:  2017-08-04       Impact factor: 4.379

Review 2.  Exploring chemical space for drug discovery using the chemical universe database.

Authors:  Jean-Louis Reymond; Mahendra Awale
Journal:  ACS Chem Neurosci       Date:  2012-04-25       Impact factor: 4.418

3.  Many InChIs and quite some feat.

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

4.  Public domain databases for medicinal chemistry.

Authors:  George Nicola; Tiqing Liu; Michael K Gilson
Journal:  J Med Chem       Date:  2012-07-11       Impact factor: 7.446

5.  Genome-wide association studies with metabolomics.

Authors:  Jerzy Adamski
Journal:  Genome Med       Date:  2012-04-30       Impact factor: 11.117

6.  Diacetylspermine Is a Novel Prediagnostic Serum Biomarker for Non-Small-Cell Lung Cancer and Has Additive Performance With Pro-Surfactant Protein B.

Authors:  William R Wikoff; Samir Hanash; Brian DeFelice; Suzanne Miyamoto; Matt Barnett; Yang Zhao; Gary Goodman; Ziding Feng; David Gandara; Oliver Fiehn; Ayumu Taguchi
Journal:  J Clin Oncol       Date:  2015-08-17       Impact factor: 44.544

7.  CDK-Taverna: an open workflow environment for cheminformatics.

Authors:  Thomas Kuhn; Egon L Willighagen; Achim Zielesny; Christoph Steinbeck
Journal:  BMC Bioinformatics       Date:  2010-03-29       Impact factor: 3.169

8.  Radiation metabolomics. 2. Dose- and time-dependent urinary excretion of deaminated purines and pyrimidines after sublethal gamma-radiation exposure in mice.

Authors:  John B Tyburski; Andrew D Patterson; Kristopher W Krausz; Josef Slavík; Albert J Fornace; Frank J Gonzalez; Jeffrey R Idle
Journal:  Radiat Res       Date:  2009-07       Impact factor: 2.841

9.  Spore Density Determines Infection Strategy by the Plant Pathogenic Fungus Plectosphaerella cucumerina.

Authors:  Pierre Pétriacq; Joost H M Stassen; Jurriaan Ton
Journal:  Plant Physiol       Date:  2016-02-03       Impact factor: 8.340

10.  Consistency of systematic chemical identifiers within and between small-molecule databases.

Authors:  Saber A Akhondi; Jan A Kors; Sorel Muresan
Journal:  J Cheminform       Date:  2012-12-13       Impact factor: 5.514

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