Noel M. O'Boyle
Noel M. O'Boyle
Computational Chemist, Sosei Heptares, Cambridge, UK
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Citata da
Citata da
Open Babel: An open chemical toolbox
NM O'Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
Journal of cheminformatics 3 (1), 1-14, 2011
Cclib: a library for package‐independent computational chemistry algorithms
NM O'boyle, AL Tenderholt, KM Langner
Journal of computational chemistry 29 (5), 839-845, 2008
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
NM O'Boyle, C Morley, GR Hutchison
Chemistry Central Journal 2 (1), 1-7, 2008
Random Forest Models To Predict Aqueous Solubility
DS Palmer, NM O'Boyle, RC Glen, JBO Mitchell
Journal of Chemical Information and Modeling 47 (1), 150-158, 2007
Confab - Systematic generation of diverse low-energy conformers
NM O'Boyle, T Vandermeersch, CJ Flynn, AR Maguire, GR Hutchison
Journal of Cheminformatics 3, 8, 2011
Comparative genomics of the major parasitic worms
International Helminth Genomes Consortium
Nature genetics 51 (1), 163, 2019
Elucidating excited state electronic structure and intercomponent interactions in multicomponent and supramolecular systems
WR Browne, NM O'Boyle, JJ McGarvey, JG Vos
Chemical Society Reviews 34 (8), 641-663, 2005
Computational Design and Selection of Optimal Organic Photovoltaic Materials
NM O’Boyle, CM Campbell, GR Hutchison
Journal of Physical Chemistry C 115, 16200-16210, 2011
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O’Boyle
Journal of cheminformatics 4 (1), 1-14, 2012
Updates to the symbol nomenclature for glycans guidelines
S Neelamegham, K Aoki-Kinoshita, E Bolton, M Frank, F Lisacek, ...
Glycobiology 29 (9), 620-624, 2019
Comparing structural fingerprints using a literature-based similarity benchmark
NM O’Boyle, RA Sayle
Journal of cheminformatics 8 (1), 1-14, 2016
GaussSum 1.0
NM O’Boyle, JG Vos
Dublin City University, 2005
Open data, open source and open standards in chemistry: the Blue Obelisk five years on
NM O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ...
Journal of cheminformatics 3 (1), 1-15, 2011
MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms
GL Holliday, DE Almonacid, GJ Bartlett, NM O'Boyle, JW Torrance, ...
Nucleic Acids Research 35 (suppl_1), D515-D520, 2007
PYCHEM: a multivariate analysis package for python
RM Jarvis, D Broadhurst, H Johnson, NM O'Boyle, R Goodacre
Bioinformatics 22 (20), 2565-2566, 2006
Open Babel: an open chemical toolbox. J Cheminform. 2011; 3: 33
NM O’Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
Epub 2011/10/11. doi: 10.1186/1758-2946-3-33. PubMed PMID: 21982300, 2021
Curcumin-induced degradation of PKCδ is associated with enhanced dentate NCAM PSA expression and spatial learning in adult and aged Wistar rats
L Conboy, AG Foley, NM O’Boyle, M Lawlor, HC Gallagher, KJ Murphy, ...
Biochemical Pharmacology 77 (7), 1254-1265, 2009
MACiE: a database of enzyme reaction mechanisms
GL Holliday, GJ Bartlett, DE Almonacid, NM O'Boyle, P Murray-Rust, ...
Bioinformatics 21 (23), 4315-4316, 2005
Using matched molecular series as a predictive tool to optimize biological activity
NM O’Boyle, J Boström, RA Sayle, A Gill
Journal of medicinal chemistry 57 (6), 2704-2713, 2014
Cinfony–combining Open Source cheminformatics toolkits behind a common interface
NM O'Boyle, GR Hutchison
Chemistry Central Journal 2 (1), 1-10, 2008
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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