Geoffrey R. Hutchison

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 5

Top Topics

Optimization Procedure

Bayesian Learning

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Andrew T. McNutt, Fatimah Bisiriyu, Sophia Song, Ananya Vyas, Geoffrey R. Hutchison, David Ryan Koes
Conformer Generation for Structure-Based Drug Design: How Many and How Good? J. Chem. Inf. Model. 63 (21) (2023)
Dakota L. Folmsbee, David Ryan Koes, Geoffrey R. Hutchison
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences. J. Chem. Inf. Model. 63 (23) (2023)
Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
Understanding Ring Puckering in Small Molecules and Cyclic Peptides. J. Chem. Inf. Model. 61 (2) (2021)
Naruki Yoshikawa, Geoffrey R. Hutchison
Fast, efficient fragment-based coordinate generation for Open Babel. J. Cheminformatics 11 (1) (2019)
Lucian Chan, Geoffrey R. Hutchison, Garrett M. Morris
Bayesian optimization for conformer generation. J. Cheminformatics 11 (1) (2019)
Marcus D. Hanwell, Donald Ephraim Curtis, David C. Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R. Hutchison
Avogadro: An advanced semantic chemical editor, visualization, and analysis platform. J. Cheminformatics 4 (2012)
Noel M. O'Boyle, Michael Banck, Craig A. James, Chris Morley, Tim Vandermeersch, Geoffrey R. Hutchison
Open Babel: An open chemical toolbox. J. Cheminformatics 3 (2011)
Noel M. O'Boyle, Tim Vandermeersch, Geoffrey R. Hutchison
Confab - generation of diverse low energy conformers. J. Cheminformatics 3 (S-1) (2011)
Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics 3 (2011)
Noel M. O'Boyle, Casey M. Campbell, Geoffrey R. Hutchison
De novo design of molecular wires with optimal properties for solar energy conversion. J. Cheminformatics 3 (S-1) (2011)
Noel M. O'Boyle, Tim Vandermeersch, Christopher J. Flynn, Anita R. Maguire, Geoffrey R. Hutchison
Confab - Systematic generation of diverse low-energy conformers. J. Cheminformatics 3 (2011)
Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen
The Blue Obelisk-Interoperability in Chemical Informatics. J. Chem. Inf. Model. 46 (3) (2006)