Citations

This page is a work in progress, to list talks on Open Babel or related to similar projects. It is also to list published articles which cite Open Babel or involve Open Babel. If you have suggestions/corrections/complaints, please send them to the openbabel-discuss mailing list.

Publications and Reports

(in chronological order)

• Article:ggwavs06

Werner J Geldenhuys, Kevin E. Gaasch, Mark Watson, David D. Allen, and Cornelis J. Van der Schyf. "Optimizing the use of open-source software applications in drug discovery." Drug Discov. Today 11(3/4), 127-132. DOI:10.1016/S1359-6446(05)03692-5

• Alex Amies, Working with Common Molecular File Formats at http://www.medicalcomputing.net/common_file_formats.html
• Article:ghhmrsww06

Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Joerg Kurt Wegner, Egon Willighagen. "The Blue Obelisk -- Interoperability in Chemical Informatics." In Press. J. Chem. Inf. Model. 2006, ASAP alert. DOI:10.1021/ci050400b

• Article:ggwas06

W. J. Geldenhuys, K. E. Gaasch, M. Watson, D. D. Allen, C. J. Van der Schyf, "{O}ptimizing the use of open-source software applications in drug discovery", Drug Discov. Today, 2006, 11, 127-132. DOI:10.1016/S1359-6446(05)03692-5

• Article:del05

Warren L. DeLano. "The case for open-source software in drug discovery" Drug Discovery Today (2005) 10(3) p. 213-217. DOI:10.1016/S1359-6446(04)03363-X

• Article:sta05

Matthew T. Stahl. "Open-source software: not quite endsville" Drug Discovery Today (2005) 10(3) p. 219-222. DOI:10.1016/S1359-6446(04)03364-1

• NSF Division of Chemistry (CHE). "CHE Cyber Chemistry Workshop Report" Oct. 3-5, 2004. (online)
• Article:mrww04

Peter Murray-Rust, Henry S. Rzepa, Mark J. Williamson, and Egon L. Willighagen. "Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators" Journal of Chemical Information and Computer Sciences (2004) 44(2) p. 462-469. DOI:10.1021/ci034244p

Talks

• Geoffrey R. Hutchison. "Open Babel: File Translation for Computational Chemistry and Nanoscience" NNIN/CNF Fall Workshop, Cornell University, October 11, 2005. (PDF)
• Geoffrey Hutchison. "Calming the Proliferation of Chemical Representations with Open Babel." eChemInfo Virtual Lectures, May 2004. (PDF) (QuickTime).
• Peter Murray-Rust. "Open Access and the Chemical Semantic Web." American Chemical Society 229th National Meeting, San Diego, March 2005. Online.