SYNOPSIS: SYNthesize and OPtimize System in Silico
نویسندگان
چکیده
منابع مشابه
SYNOPSIS: SYNthesize and OPtimize System in Silico.
We present a de novo design program called SYNOPSIS, that includes a synthesis route for each generated molecule. SYNOPSIS designs novel molecules by starting from a database of available molecules and simulating organic synthesis steps. This way of generating molecules imposes synthetic accessibility on the molecules. In addition to a starting database, a fitness function is needed that calcul...
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ژورنال
عنوان ژورنال: Journal of Medicinal Chemistry
سال: 2003
ISSN: 0022-2623,1520-4804
DOI: 10.1021/jm030809x