Review of "Data Analysis with Open Source Tools" by Philipp K Janert

Por O'Boyle, Noel M
Publicado em 2011

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

Por O’Boyle, Noel M
Publicado em 2012

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

Por O'Boyle, Noel M, Hutchison, Geoffrey R
Publicado em 2008

Comparing structural fingerprints using a literature-based similarity benchmark

Por O’Boyle, Noel M., Sayle, Roger A.
Publicado no J Cheminform (2016)

What compound should I make next? Using Matched Molecular Series for prospective medicinal chemistry

Por O’Boyle, Noel M, Sayle, Roger, Boström, Jonas
Publicado em 2014

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Por O'Boyle, Noel M, Morley, Chris, Hutchison, Geoffrey R
Publicado em 2008

De novo design of molecular wires with optimal properties for solar energy conversion

Por O’Boyle, Noel M, Campbell, Casey M, Hutchison, Geoffrey R
Publicado em 2011

Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall

Por Lowe, Daniel M., O’Boyle, Noel M., Sayle, Roger A.
Publicado no Database (Oxford) (2016)

Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction

Por O'Boyle, Noel M, Palmer, David S, Nigsch, Florian, Mitchell, John BO
Publicado em 2008

Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity

Por O’Boyle, Noel M., Boström, Jonas, Sayle, Roger A., Gill, Adrian
Publicado em 2014

Using Reaction Mechanism to Measure Enzyme Similarity

Por O’Boyle, Noel M., Holliday, Gemma L., Almonacid, Daniel E., Mitchell, John B.O.
Publicado em 2007

Confab - Systematic generation of diverse low-energy conformers

Por O'Boyle, Noel M, Vandermeersch, Tim, Flynn, Christopher J, Maguire, Anita R, Hutchison, Geoffrey R
Publicado em 2011

Open Babel: An open chemical toolbox

Por O'Boyle, Noel M, Banck, Michael, James, Craig A, Morley, Chris, Vandermeersch, Tim, Hutchison, Geoffrey R
Publicado em 2011

Userscripts for the Life Sciences

Por Willighagen, Egon L, O'Boyle, Noel M, Gopalakrishnan, Harini, Jiao, Dazhi, Guha, Rajarshi, Steinbeck, Christoph, Wild, David J
Publicado em 2007

MACiE: A Database of Enzyme Reaction Mechanisms

Por Holliday, Gemma L., Bartlett, Gail J., Almonacid, Daniel E., O’Boyle, Noel M., Murray-Rust, Peter, Thornton, Janet M., Mitchell, John B. O.
Publicado em 2005

MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms

Por Holliday, Gemma L., Almonacid, Daniel E., Bartlett, Gail J., O'Boyle, Noel M., Torrance, James W., Murray-Rust, Peter, Mitchell, John B. O., Thornton, Janet M.
Publicado em 2007

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

Por O'Boyle, Noel M, Guha, Rajarshi, Willighagen, Egon L, Adams, Samuel E, Alvarsson, Jonathan, Bradley, Jean-Claude, Filippov, Igor V, Hanson, Robert M, Hanwell, Marcus D, Hutchison, Geoffrey R, James, Craig A, Jeliazkova, Nina, Lang, Andrew SID, Langner, Karol M, Lonie, David C, Lowe, Daniel M, Pansanel, Jérôme, Pavlov, Dmitry, Spjuth, Ola, Steinbeck, Christoph, Tenderholt, Adam L, Theisen, Kevin J, Murray-Rust, Peter
Publicado em 2011