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

scientific article (publication date: 13 December 2012)

Consistency of systematic chemical identifiers within and between small-molecule databases is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/jcheminf/AkhondiKM12
P6179Dimensions Publication ID1034306470
P356DOI10.1186/1758-2946-4-35
P3181OpenCitations bibliographic resource ID4861911
P932PMC publication ID3539895
P698PubMed publication ID23237381
P5875ResearchGate publication ID233913076

P50authorJan A KorsQ56509036
Sorel MuresanQ29043209
P2093author name stringJan A Kors
Saber A Akhondi
P2860cites workAutomated ligand placement and refinement with a combined force field and shape potential.Q51939382
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibilityQ53843480
DrugBank 3.0: a comprehensive resource for 'omics' research on drugsQ24612505
Chemical Entities of Biological Interest: an updateQ24644887
HMDB: a knowledgebase for the human metabolomeQ24655295
Chemical Name to Structure: OPSIN, an Open Source SolutionQ26481104
Description of several chemical structure file formats used by computer programs developed at Molecular Design LimitedQ27783587
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChIQ28133319
Public chemical compound databasesQ28277366
ChEMBL: a large-scale bioactivity database for drug discoveryQ28315179
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling researchQ28748220
A quality alert and call for improved curation of public chemistry databasesQ28842731
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situationQ28842733
Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity dataQ34056842
The NCGC pharmaceutical collection: a comprehensive resource of clinically approved drugs enabling repurposing and chemical genomicsQ34992596
Internet resources integrating many small-molecule databases.Q38391921
Mapping between databases of compounds and protein targetsQ38467407
Building an R&D chemical registration systemQ38470555
Text Mining for Drugs and Chemical Compounds: Methods, Tools and ApplicationsQ38911008
P275copyright licenseCreative Commons Attribution 2.0 GenericQ19125117
P6216copyright statuscopyrightedQ50423863
P433issue1
P407language of work or nameEnglishQ1860
P921main subjectInternational Chemical IdentifierQ203250
P304page(s)35
P577publication date2012-12-13
P1433published inJournal of CheminformaticsQ6294930
P1476titleConsistency of systematic chemical identifiers within and between small-molecule databases
P478volume4

Reverse relations

cites work (P2860)
Q114864147A primer on natural product-based virtual screening
Q62020441Accelerating Metabolite Identification in Natural Product Research: Toward an Ideal Combination of Liquid Chromatography–High-Resolution Tandem Mass Spectrometry and NMR Profiling, in Silico Databases, and Chemometrics
Q27902302Ambiguity of non-systematic chemical identifiers within and between small-molecule databases
Q28543395Annotated chemical patent corpus: a gold standard for text mining
Q61805927Automatic identification of relevant chemical compounds from patents
Q36333632Characterisation of data resources for in silico modelling: benchmark datasets for ADME properties.
Q111096955ChemProps: A RESTful API enabled database for composite polymer name standardization
Q28833729Chemical entity recognition in patents by combining dictionary-based and statistical approaches
Q28487717Comparative evaluation of open source software for mapping between metabolite identifiers in metabolic network reconstructions: application to Recon 2
Q45944187Computational approaches to chemical hazard assessment.
Q64250311Consistency, Inconsistency, and Ambiguity of Metabolite Names in Biochemical Databases Used for Genome-Scale Metabolic Modelling
Q92327976Establishing and Maintaining a Robust Sample Management System
Q27943500Many InChIs and quite some feat
Q30854509On InChI and evaluating the quality of cross-reference links
Q56084686PubChem chemical structure standardization
Q38414273Recognition of chemical entities: combining dictionary-based and grammar-based approaches
Q91602745Schema Matching and Data Integration with Consistent Naming on Protein Crystallization Screens
Q97564941Tautomer Standardization in Chemical Databases: Deriving Business Rules from Quantum Chemistry
Q30864733Trends in the production of scientific data analysis resources
Q33718167Unique identifiers for small molecules enable rigorous labeling of their atoms
Q28652236Virus-host interactomics: new insights and opportunities for antiviral drug discovery

Search more.