Method and apparatus for automated design of chemical synthesis routes
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United States of America Patent
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May 27, 2003
Grant Date -
N/A
app pub date -
Mar 10, 2000
filing date -
Mar 12, 1999
priority date (Note) -
Expired
status (Latency Note)
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Abstract
Method and apparatus for designing a synthesis route for a target molecule is provided. The method for designing a synthesis route for a target molecule comprises: generating a plurality of individuals, wherein each individual encodes a synthesis route; decoding each individual to produce a synthesis route comprising at least one reactant molecules and at least one reaction; and determining how well the synthesis route satisfies a design goal. A computer readable medium containing instructions for a computer program executable by the computer to perform a method for designing a synthesis route for a target molecule is also provided. The apparatus comprises a parallel computer system for executing instructions of a computer program to perform a method for designing a synthesis route for a target molecule.
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