Noel M. O’Boyle
University of Pittsburgh
1 paper in the Anchorcite directory, published in 2011, cited 11,515 times in total.
ORCID profileResearch topics
- Computational Drug Discovery Methods · 1 paper
- Machine Learning in Materials Science · 1 paper
- Molecular spectroscopy and chirality · 1 paper
Frequent co-authors
- Michael Banck · 1 paper
- Chris Morley · 1 paper
- Tim Vandermeersch · 1 paper
- Geoffrey Hutchison · 1 paper
Papers
- Open Babel: An open chemical toolboxJournal of Cheminformatics · 2011 · 11,515 citations
BACKGROUND: A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de facto standards have arisen (for example, SMILES format), the need to interconvert…
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