Noel M. O'Boyle
Noel M. O'Boyle
Computational Chemist, Sosei Heptares, Cambridge, UK
Email verificata su soseiheptares.com
Titolo
Citata da
Citata da
Anno
Open Babel: An open chemical toolbox
NM O'Boyle, M Banck, CA James, C Morley, T Vandermeersch, ...
Journal of cheminformatics 3 (1), 33, 2011
36622011
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
31332008
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
NM O'Boyle, C Morley, GR Hutchison
Chemistry Central Journal 2 (1), 1-7, 2008
2922008
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
2342007
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
1502011
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
1472005
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
1422011
Comparative genomics of the major parasitic worms
International Helminth Genomes Consortium
Nature genetics 51 (1), 163, 2019
1062019
Towards a Universal SMILES representation-A standard method to generate canonical SMILES based on the InChI
NM O’Boyle
Journal of cheminformatics 4 (1), 22, 2012
1032012
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
782007
GaussSum 1.0
NM O’Boyle, JG Vos
Dublin City University, 2005
75*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), 37, 2011
742011
PYCHEM: a multivariate analysis package for python
RM Jarvis, D Broadhurst, H Johnson, NM O'Boyle, R Goodacre
Bioinformatics 22 (20), 2565-2566, 2006
742006
Comparing structural fingerprints using a literature-based similarity benchmark
NM O’Boyle, RA Sayle
Journal of cheminformatics 8 (1), 1-14, 2016
662016
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
522009
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
482005
Cinfony–combining Open Source cheminformatics toolkits behind a common interface
NM O'Boyle, GR Hutchison
Chemistry Central Journal 2 (1), 24, 2008
472008
Using reaction mechanism to measure enzyme similarity
NM O'Boyle, GL Holliday, DE Almonacid, JBO Mitchell
J. Mol. Biol 368, 1484-1499, 2007
442007
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
432019
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
432014
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
Articoli 1–20