Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics
نویسندگان
چکیده
منابع مشابه
Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics
Both the automated generation of reaction networks and the automated prediction of synthetic trees require, in one way or another, the definition of possible transformations a molecule can undergo. One way of doing this is by using reaction templates. In view of the expanding amount of known reactions, it has become more and more difficult to envision all possible transformations that could occ...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2018
ISSN: 1758-2946
DOI: 10.1186/s13321-018-0269-8