The Molecule Evoluator. An Interactive Evolutionary Algorithm for the Design of Drug-Like Molecules
نویسندگان
چکیده
منابع مشابه
The Molecule Evoluator. An Interactive Evolutionary Algorithm for the Design of Drug-Like Molecules
We developed a software tool to design drug-like molecules, the "Molecule Evoluator", which we introduce and describe here. An atom-based evolutionary approach was used allowing both several types of mutation and crossover to occur. The novelty, we claim, is the unprecedented interactive evolution, in which the user acts as a fitness function. This brings a human being's creativity, implicit kn...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2006
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci050369d