Revision as of 16:22, 6 July 2009

All Molecules
KOX PR PBX COX

Creatinine

Top 10 Similar Molecules of Creatinine

[show] Ranking	About scoring
KOX00683p Score:10.38 KOX00762p Score:10.12 KOX00894p Score:9.84 KOX00737p Score:9.84 KOX00104p Score:5.94 KOX00868p Score:4.15 KOX00852p Score:4.15 KOX00815p Score:4.15 KOX00794p Score:4.15 KOX00772p Score:4.15	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 C4H8N3O: KOX00104p KOX00737p KOX00894p Pages Related to Peak C3H8N3: KOX00683p KOX00762p Pages Related to Peak C3H6NO: KOX00008p KOX00010p KOX00018p KOX00083p KOX00167p KOX00223p KOX00225p KOX00288p KOX00292p KOX00499p KOX00641p KOX00642p KOX00654p KOX00663p KOX00683p KOX00718p KOX00739p KOX00740p KOX00772p KOX00794p KOX00815p KOX00852p KOX00868p Pages Related to Peak C2H3N2: KOX00054p KOX00077p KOX00081p KOX00111p KOX00181p KOX00233p KOX00266p KOX00276p KOX00315p KOX00347p KOX00420p KOX00427p KOX00429p KOX00443p KOX00451p KOX00478p KOX00633p KOX00653p KOX00666p KOX00676p KOX00711p KOX00721p KOX00737p KOX00762p KOX00780p KOX00781p KOX00787p KOX00799p KOX00894p KOX00897p

[show] About the PP Table (行列表示について)

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@@ Line 2: / Line 2: @@
 &&C4H8N3O&&C3H8N3&&C3H6NO&&C2H3N2&&
-&&C4H8N3O: C3H8N3 C3H6NO C2H3N2
+&&C4H8N3O: C3H8N3
+a
+&&C4H8N3O: C3H6NO
+b
+&&C4H8N3O: C2H3N2
+c,-CH4
 &&C3H8N3: C2H3N2**
 }}