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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 systematic visual approach to molecular design via property clusters and group contribution methods
(
Elsevier Ltd
, 2008 , Article)
In this work, a new simple yet effective, systematic method to synthesize and design molecules is presented. Visualization of the problem is achieved by employing an annex to the recently developed property clustering ...