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A novel algorithm for molecular synthesis using enhanced property operators
(
Elsevier Ltd
, 2008 , Article)
Traditionally process design and molecular design have been treated as two separate problems, with little or no feedback between the two approaches. Introduction of the property integration framework has allowed for ...
A Property Based Approach for Simultaneous Process and Molecular Design
(
Elsevier B.V.
, 2009 , Article)
In this work, property clustering techniques and group contribution methods are combined to enable simultaneous consideration of process performance requirements and molecular property constraints. Using this methodology, ...