Revision as of 10:51, 7 July 2009

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KOX PR PBX COX

Doxorubicin

Top 10 Similar Molecules of Doxorubicin

[show] Ranking	About scoring
KOX00715p Score:22.04 KOX00041p Score:10.97 KOX00820p Score:5.72 KOX00499p Score:5.72 KOX00508p Score:5.25 KOX00393p Score:5.25 KOX00347p Score:5.25 KOX00095p Score:5.25 KOX00069p Score:5.25 KOX00888p Score:4.44	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

[show] Page list for each fragment
Pages Related to Peak C19H13O5: KOX00715p Pages Related to Peak C6H12NO2: KOX00041p KOX00069p KOX00095p KOX00347p KOX00393p KOX00508p KOX00715p Pages Related to Peak C6H9O2: KOX00041p KOX00499p KOX00715p KOX00820p Pages Related to Peak C4H8NO: KOX00002p KOX00083p KOX00102p KOX00138p KOX00276p KOX00292p KOX00335p KOX00368p KOX00547p KOX00642p KOX00662p KOX00715p KOX00739p KOX00740p KOX00744p KOX00795p KOX00888p

[show] About the PP Table (行列表示について)

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 &&C27H30NO11&&C21H19O9&&C21H17O8&&C21H15O7&&C21H13O6&&C19H13O5&&C6H12NO2&&C6H9O2&&C4H8NO&&
-&&C27H30NO11: C21H19O9 C21H17O8 C21H15O7** C21H13O6** C19H13O5** C6H12NO2 C6H9O2** C4H8NO
+&&C27H30NO11: C21H19O9
+c
+&&C27H30NO11: C21H17O8
+c,-H2O
+&&C27H30NO11: C21H15O7** C21H13O6** C19H13O5**
+&&C27H30NO11: C6H12NO2
+b,-H2O
+&&C27H30NO11: C6H9O2**
+&&C27H30NO11: C4H8NO
+x
 &&C21H19O9: C21H17O8 C21H15O7** C21H13O6** C19H13O5** C6H9O2*
 &&C21H17O8: C21H15O7 C21H13O6** C19H13O5** C6H9O2*