Noel O'Boyle - Publications
Affiliations: | 2005-2006 | University of Cambridge, Cambridge, England, United Kingdom |
Year | Citation | Score | |||
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2018 | O'Boyle N, Dalke A. DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures Chemrxiv. DOI: 10.26434/Chemrxiv.7097960.V1 | 0.304 | |||
2008 | O'Boyle NM, Palmer DS, Nigsch F, Mitchell JB. Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction. Chemistry Central Journal. 2: 21. PMID 18959785 DOI: 10.1186/1752-153X-2-21 | 0.633 | |||
2007 | O'Boyle NM, Holliday GL, Almonacid DE, Mitchell JB. Using reaction mechanism to measure enzyme similarity. Journal of Molecular Biology. 368: 1484-99. PMID 17400244 DOI: 10.1016/j.jmb.2007.02.065 | 0.681 | |||
2007 | Palmer DS, O'Boyle NM, Glen RC, Mitchell JB. Random forest models to predict aqueous solubility. Journal of Chemical Information and Modeling. 47: 150-8. PMID 17238260 DOI: 10.1021/Ci060164K | 0.556 | |||
2007 | Holliday GL, Almonacid DE, Bartlett GJ, O'Boyle NM, Torrance JW, Murray-Rust P, Mitchell JB, Thornton JM. MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms. Nucleic Acids Research. 35: D515-20. PMID 17082206 DOI: 10.1093/Nar/Gkl774 | 0.664 | |||
2005 | Holliday GL, Bartlett GJ, Almonacid DE, O'Boyle NM, Murray-Rust P, Thornton JM, Mitchell JB. MACiE: a database of enzyme reaction mechanisms. Bioinformatics (Oxford, England). 21: 4315-6. PMID 16188925 DOI: 10.1093/Bioinformatics/Bti693 | 0.665 | |||
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