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Noel M. O’Boyle | Researchclopedia

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Noel M. O’Boyle

European Bioinformatics Institute ORCID

93

Works

20,873

Citations

29

h-index

38

i10-index

Research Topics

Computational Drug Discovery Methods Machine Learning in Materials Science Crystallization and Solubility Studies

Affiliations

University College Dublin2005–2009

European Bioinformatics Institute2009–2026

Unilever (United Kingdom)2006–2008

University of Cambridge2005–2008

University College Cork2011–2012

Top Works

Open Babel: An open chemical toolbox

Noel M. O’Boyle,Michael Banck,et al.

201110,689 citations

X-ray Diffraction in Crystallography

Protein Structure and Dynamics

cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle,Adam L. Tenderholt,et al.

20076,011 citations

Updates to the Symbol Nomenclature for Glycans guidelines

Sriram Neelamegham,Kiyoko F. Aoki‐Kinoshita,et al.

2019462 citations

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Noel M. O’Boyle,Chris Morley,et al.

2008445 citations

Random Forest Models To Predict Aqueous Solubility

David Scott Palmer,Noel M. O’Boyle,et al.

2006369 citations

Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI

Noel M. O’Boyle

2012353 citations

Confab - Systematic generation of diverse low-energy conformers

Noel M. O’Boyle,Tim Vandermeersch,et al.

2011318 citations

Comparing structural fingerprints using a literature-based similarity benchmark

Noel M. O’Boyle,Roger A. Sayle

2016271 citations

DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures

Noel M. O’Boyle,Andrew Dalke

2018212 citations