Noel M. O'Boyle
Noel M. O'Boyle
Computational Chemist, Sosei Heptares, Cambridge, UK
Verified email at
Cited by
Cited by
Open Babel: An open chemical toolbox
NM O'Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
Journal of cheminformatics 3, 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, 1-7, 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
Comparative genomics of the major parasitic worms
Nature genetics 51 (1), 163-174, 2019
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
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O’Boyle
Journal of cheminformatics 4, 1-14, 2012
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
Comparing structural fingerprints using a literature-based similarity benchmark
NM O’Boyle, RA Sayle
Journal of cheminformatics 8, 1-14, 2016
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
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
DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures
N O'Boyle, A Dalke
Open Babel: an open chemical toolbox. J Cheminform. 2011; 3: 33
NM O’Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
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, 1-15, 2011
PYCHEM: a multivariate analysis package for python
RM Jarvis, D Broadhurst, H Johnson, NM O'Boyle, R Goodacre
Bioinformatics 22 (20), 2565-2566, 2006
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
Tenderholt AL Langner KM J
NM O'boyle
Comput. Chem 29 (839), 10.1002, 2008
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
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
Cinfony–combining Open Source cheminformatics toolkits behind a common interface
NM O'Boyle, GR Hutchison
Chemistry Central Journal 2, 1-10, 2008
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