Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules
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DOI: 10.1021/acs.jcim.0c00503
Abstract: We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built from any set of elements from the periodic table. In particular, poly-nuclear transition… read more here.
Keywords: molecular graph; molassembler molecular; construction; molecules molassembler ... See more keywords