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ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.
Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, Wishart DS. Djoumbou Feunang Y, et al. Among authors: hastings j. J Cheminform. 2016 Nov 4;8:61. doi: 10.1186/s13321-016-0174-y. eCollection 2016. J Cheminform. 2016. PMID: 27867422 Free PMC article.
Structure-based classification and ontology in chemistry.
Hastings J, Magka D, Batchelor C, Duan L, Stevens R, Ennis M, Steinbeck C. Hastings J, et al. J Cheminform. 2012 Apr 5;4:8. doi: 10.1186/1758-2946-4-8. J Cheminform. 2012. PMID: 22480202 Free PMC article.
libChEBI: an API for accessing the ChEBI database.
Swainston N, Hastings J, Dekker A, Muthukrishnan V, May J, Steinbeck C, Mendes P. Swainston N, et al. Among authors: hastings j. J Cheminform. 2016 Mar 1;8:11. doi: 10.1186/s13321-016-0123-9. eCollection 2016. J Cheminform. 2016. PMID: 26933452 Free PMC article.
Accessing and using chemical property databases.
Hastings J, Josephs Z, Steinbeck C. Hastings J, et al. Methods Mol Biol. 2012;929:193-219. doi: 10.1007/978-1-62703-050-2_9. Methods Mol Biol. 2012. PMID: 23007431
ChEBI in 2016: Improved services and an expanding collection of metabolites.
Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. Hastings J, et al. Nucleic Acids Res. 2016 Jan 4;44(D1):D1214-9. doi: 10.1093/nar/gkv1031. Epub 2015 Oct 13. Nucleic Acids Res. 2016. PMID: 26467479 Free PMC article.
A database for chemical proteomics: ChEBI.
de Matos P, Adams N, Hastings J, Moreno P, Steinbeck C. de Matos P, et al. Among authors: hastings j. Methods Mol Biol. 2012;803:273-96. doi: 10.1007/978-1-61779-364-6_19. Methods Mol Biol. 2012. PMID: 22065232
904 results