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Found 2 papers, 1 papers with code
Molecular Design Based on Integer Programming and Quadratic Descriptors in a Two-layered Model
A set of graph theoretical descriptors in the feature function plays a key role to derive a compact formulation of such an MILP.
A Method for Inferring Polymers Based on Linear Regression and Integer Programming
For this, we introduce a new way of representing a polymer as a form of monomer and define new descriptors that feature the structure of polymers.
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