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In this paper, a mathematical programming-based approach to computer-aided molecular design is presented.
The guiding principle for the molecular design is given briefly.
The area of lipid molecular design is attracting widespread interest among numerous research groups worldwide.
Computer-aided molecular design is a strategy in which a set of structural groups are systematically combined to form molecules with desired properties.
Anat Milo: In this age of automation, synthetic chemistry is increasingly streamlined, and molecular design is augmented by algorithms that juggle numerous features we cannot easily capture in our minds: the future of synthesis is bright and intriguing.
Polymer molecular design is a crucial aspect for fabricating a better polymer solar cell with enhanced efficiency.
Similar(38)
Statistical molecular design was used to verify the structural representation.
Strategy and particulars of molecular design are presented.
A striking example of the potential of molecular design was announced in February 2012 by the Wyss Institute for Biologically Inspired Engineering at Harvard.
The roles played by salt bridges, hydrogen bonds, side-chain packing, rotameric states, solvation, and the hydrophobic effect in native biomolecules are being explored, and strategies for re-casting these roles through structure-based molecular design are being developed.
In this work, systematic property clustering methods for molecular design are described.
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