Retrosynthesis: Computer says yes
نویسندگان
چکیده
منابع مشابه
Computer-Assisted Retrosynthesis Based on Molecular Similarity
We demonstrate molecular similarity to be a surprisingly effective metric for proposing and ranking one-step retrosynthetic disconnections based on analogy to precedent reactions. The developed approach mimics the retrosynthetic strategy defined implicitly by a corpus of known reactions without the need to encode any chemical knowledge. Using 40 000 reactions from the patent literature as a kno...
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ژورنال
عنوان ژورنال: Nature Reviews Chemistry
سال: 2018
ISSN: 2397-3358
DOI: 10.1038/s41570-018-0152