Top 10 Similar Molecules of Aminophylline

[show] Ranking	About scoring
A237+ Score:33.28 D183+ Score:20.82 T029+ Score:20.82 M042+ Score:15.95 T027+ Score:15.44 M030+ Score:9.71 M043+ Score:9.71 A103+ Score:6.23 P098+ Score:5.38 A203+ Score:5.38	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。

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[show] Page list for each fragment
Pages Related to Peak C7H9N4O2: A237+ T029+ D183+ T027+ Pages Related to Peak C5H6N3O: A237+ M042+ M043+ T029+ D183+ P098+ Pages Related to Peak C4H3N3O: A237+ M042+ Pages Related to Peak C4H6N3: A237+ T029+ A203+ D183+ M030+ T027+ Pages Related to Peak C3H3N2O: A237+ A103+ Pages Related to Peak C3H5N2: A133+ A237+ C033+ C119+ D055+ H014+ M042+ M043+ T029+ Z001+ C028+ D183+ H025+ I046+ M030+ P084+ P095+ T027+ T123+

[show] About the PP Table (行列表示について)

[hide] KOX00111p	181 C7H9N4O2	124 C5H6N3O	109 C4H3N3O	96 C4H6N3	83 C3H3N2O	69 C3H5N2
181 C7H9N4O2
124 C5H6N3O	C2H3NO
109 C4H3N3O	C3H6NO	CH3
96 C4H6N3	C3H3NO2	CO
83 C3H3N2O	C4H6N2O	C2H3N	CN
69 C3H5N2	C4H4N2O2	C2HNO		CHN

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