TAILIEUCHUNG - Managing and Mining Graph Data part 61

Managing and Mining Graph Data part 61 is a comprehensive survey book in graph data analytics. It contains extensive surveys on important graph topics such as graph languages, indexing, clustering, data generation, pattern mining, classification, keyword search, pattern matching, and privacy. It also studies a number of domain-specific scenarios such as stream mining, web graphs, social networks, chemical and biological data. The chapters are written by leading researchers, and provide a broad perspective of the area. This is the first comprehensive survey book in the emerging topic of graph data processing. . | 590 MANAGING AND MINING GRAPH DATA is similar in flavor to the extended connectivity fingerprints ECFP described earlier. Howevtri tn the case of this ktrr sisl lunclion no explicit descriptor-sptce tt generated. 4. Searching Compound Libraries Searching large databases of charnlcai compounds often referred to as compound libraties in tii dc r to identify compounds thai. share the same bioactivity they hind to the same pdotein or class oa proteins with a certain puery compound it arguabfy tlisi moist widely uted operation involving chemical compounds and an ttt tt towatds die iterative optimization of a compound s binding afidnityi salectiviiyi and other pharmaceutically relevant peopestiet. Thts search id ufuaily prrformed aga nsl different libraries . coeporate 1 ileraryi librariet af commcecmlly available compounds libraries of compoundti etc aid provide keyf information that can be used to identify other inure potent compounds and io guide the synthesis of small-scale libraries around the iniiial query compounds. Depending on the initiai proper-ticti of lire query compound and the goal of the 110 111x11 liitlinitisitidr proccsfi tiserit arr two distinct types of operations that the database teatch mechanisms needs Sat support. The first is the standard rank-retrieval operation whose goai is to idtnlily compounds that are similar to the quart in t tmt of their 11-01011x1. The second is the scaffold-hopping opcralioa whose goal is to identity compounda that are similar to the query in teams of their bioactivity but lire is hfruafuret arc different from that of the iery diffsrenf scai ioids i This tatter s ss used when the query compound has some imdcsirablc it it t rtics uoli as toxicity bad ADME absorp-tioni disiributioni mcUil ohem and excretion oo may be promiscuous 18 4S .5 i Sinee proacriich ate often shared by the compounds that have very similar slruciuraSi il. la important to Ideetify as many chemical .

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