Có 62+ tài liệu thuộc chủ đề "các thuật toán clustering"
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Mining chemical compounds in silico has drawn increasing attention from both academia and pharmaceutical industry due to its effectiveness in aiding the drug discovery process. Since graphs are the natural representation for chemical com- pounds, most of the mining algorithms focus on mining chemical graphs. Chem- ical graph mining approaches have many applications in the drug discovery pro- cess that...
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is similar in flavor to the extended connectivity fingerprints (ECFP) described earlier. However, in the case of this kernel function, no explicit descriptor- space is generated.. Searching large databases of chemical compounds, often referred to as com- pound libraries, in order to identify compounds that share the same bioac- tivity (i.e., they bind to the same protein or class of...