Activity-relevant similarity values for fingerprints and implications for similarity searching
نویسندگان
چکیده
منابع مشابه
Activity-relevant similarity values for fingerprints and implications for similarity searching
A largely unsolved problem in chemoinformatics is the issue of how calculated compound similarity relates to activity similarity, which is central to many applications. In general, activity relationships are predicted from calculated similarity values. However, there is no solid scientific foundation to bridge between calculated molecular and observed activity similarity. Accordingly, the succe...
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ژورنال
عنوان ژورنال: F1000Research
سال: 2016
ISSN: 2046-1402
DOI: 10.12688/f1000research.8357.1