The Blue Obelisk-Interoperability in Chemical Informatics. - Rajarshi Guha; Michael T. Howard; Geoffrey R. Hutchison; Peter Murray-Rust; Henry S. Rzepa; Christoph Steinbeck; Jörg K. Wegner; Egon L. Willighagen (J. Chem. Inf. Model., 2006)

Open Babel: An open chemical toolbox. - Noel M. O'Boyle; Michael Banck; Craig A. James; Chris Morley; Tim Vandermeersch; Geoffrey R. Hutchison (J. Cheminformatics, 2011)

De novo design of molecular wires with optimal properties for solar energy conversion. - Noel M. O'Boyle; Casey M. Campbell; Geoffrey R. Hutchison (J. Cheminformatics, 2011)

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. - 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; et al. (J. Cheminformatics, 2011)

Confab - Systematic generation of diverse low-energy conformers. - Noel M. O'Boyle; Tim Vandermeersch; Christopher J. Flynn; Anita R. Maguire; Geoffrey R. Hutchison (J. Cheminformatics, 2011)

Confab - generation of diverse low energy conformers. - Noel M. O'Boyle; Tim Vandermeersch; Geoffrey R. Hutchison (J. Cheminformatics, 2011)

Avogadro: An advanced semantic chemical editor, visualization, and analysis platform. - Marcus D. Hanwell; Donald Ephraim Curtis; David C. Lonie; Tim Vandermeersch; Eva Zurek; Geoffrey R. Hutchison (J. Cheminformatics, 2012)

Bayesian optimization for conformer generation. - Lucian Chan; Geoffrey R. Hutchison; Garrett M. Morris (J. Cheminformatics, 2019)

Fast, efficient fragment-based coordinate generation for Open Babel. - Naruki Yoshikawa; Geoffrey R. Hutchison (J. Cheminformatics, 2019)

Understanding Ring Puckering in Small Molecules and Cyclic Peptides. - Lucian Chan; Geoffrey R. Hutchison; Garrett M. Morris (J. Chem. Inf. Model., 2021)

Conformer Generation for Structure-Based Drug Design: How Many and How Good? - Andrew T. McNutt; Fatimah Bisiriyu; Sophia Song; Ananya Vyas; Geoffrey R. Hutchison; David Ryan Koes (J. Chem. Inf. Model., 2023)

Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences. - Dakota L. Folmsbee; David Ryan Koes; Geoffrey R. Hutchison (J. Chem. Inf. Model., 2023)