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• W2335407356 abstract "A novel approach to prediction of supramolecular motifs was applied to more than 6000 monomolecular structures containing 2-periodic H-bond patterns. It is shown that a number of topological descriptors allow one to rationalize supramolecular motifs, find the regularities in their structure, and store the information in a knowledge database. The knowledge database can then be used in an expert system to mimic the work of a human expert and to forecast the method of assembling molecules into supramolecular ensembles and into extended (periodic) architectures. The crystals of N-[(4-methylbenzene)sulfonyl]serine were synthesized, and the principles of the expert system were used to successfully predict the 2-periodic square-lattice H-bond pattern in this compound." @default.
• W2335407356 created "2016-06-24" @default.
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• W2335407356 date "2014-03-03" @default.
• W2335407356 modified "2023-09-22" @default.
• W2335407356 title "A Possible Route toward Expert Systems in Supramolecular Chemistry: 2-Periodic H-Bond Patterns in Molecular Crystals" @default.
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• W2335407356 doi "https://doi.org/10.1021/cg500066p" @default.
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