Browsing by Author "Banck, Michael"

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Browsing by Author "Banck, Michael"

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  • O'Boyle, Noel M.; Banck, Michael; James, Craig A.; Morley, Chris; Vandermeersch, Tim; Hutchison, Geoffrey R. (Chemistry Central, 2011-10-07)
    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 ...