Tracing compound pathways using chemical space networks
نویسندگان
چکیده
منابع مشابه
Design of chemical space networks incorporating compound distance relationships
Networks, in which nodes represent compounds and edges pairwise similarity relationships, are used as coordinate-free representations of chemical space. So-called chemical space networks (CSNs) provide intuitive access to structural relationships within compound data sets and can be annotated with activity information. However, in such similarity-based networks, distances between compounds are ...
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ژورنال
عنوان ژورنال: MedChemComm
سال: 2017
ISSN: 2040-2503,2040-2511
DOI: 10.1039/c6md00628k