PDF《Efficient SIMULTANEOUS matching》

!58,!#28;

!60,!#28;

!61,!#28;

!62, !#28;

!64,!#28;

!0,!#29;

!63,!#29;

!65,!#29;

!0,!#30;

!64,!#30;

!66,!#30;

!67,!#30;

!68,!#30;

!70,!#30;

!0,!#31;

!69,!#31;

!71,!#31;

!0,!#32;

! 70,!#32;

!72,!#32;

!73,!#32;

!74,!#32;

!0,!#33;

!75,!#33;

!0,!#34;

!74,!#34;

!76,!#34;

!77,!#34;

!78,!#34;

!80,!#34;

!0,!#35;

!79,!#35;

!81,!# 35;

!0,!#36;

!79,!#36;

!80,!#36;

!82,!#36;

!83,!#36;

!84,!#36;

!86,!#36;

!0,!#37;

!85,!#37;

!0,!#38;

!84,!#38;

!86,!#38;

!87,!#38;

!88,!#38;

!0, !#39;

!89,!#39;

!0,!#40;

!90,!#40;

!91,!#40;

!92,!#40;

!94,!#40;

!96,!#40;

!0,!#41;

!93,!#41;

!0,!#42;

!92,!#42;

!94,!#42;

!95,!#42;

!96,!#42;

!97,!#42;

!98,!#42;

!0,!#44;

!96,!#44;

!98,!#44;

!99,!#44;

!100,!#44;

!101,!#44;

!102,!#44;

!104,!#44;

!0,!#45;

!103,!#45;

!0,!#46;

!102,!#4 6;

!104,!#46;

!105,!#46;

!106,!#46;

!108,!#46;

!110,!#46;

!0,!#47;

!107,!#47;

!109,!#47;

!0,!#48;

!106,!#48;

!108,!#48;

!110,!#48;

!111,!# 48;

!112,!#48;

!114,!#48;

!0,!#49;

!113,!#49;

!0,!#50;

!112,!#50;

!114,!#50;

!115,!#50;

!116,!#50;

!117,!#50;

!118,!#50;

!119,!#50;

!120,! #50;

!122,!#50;

!124,!#50;

!0,!#51;

!121,!#51;

!123,!#51;

!0,!#52;

!120,!#52;

!122,!#52;

!123,!#52;

!124,!#52;

!125,!#52;

!126,!#52;

!0,!#5 3;

!127,!#53;

!0,!#54;

!124,!#54;

!126,!#54;

!128,!#54;

!129,!#54;

!130,!#54;

!131,!#54;

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!134,!#54;

!136,!#54;

!0,!#55;

!133,!# 55;

!0,!#56;

!130,!#56;

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!135,!#56;

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!137,!#56;

!138,!#56;

!0,!#57;

!139,!#57;

!0,!#58;

!136,!#58;

!138,!#5 8;

!140,!#58;

!142,!#58;

!0,!#59;

!141,!#59;

!0,!#60;

!142,!#60;

!143,!#60;

!145,!#60;

!146,!#60;

!148,!#60;

!0,!#62;

!144,!#62;

!149,!#62;

!150,!#62;

!152,!#62;

!154,!#62;

!0,!#63;

!153,!#63;

!0,!#64;

!154,!#64;

!155,!#64;

!156,!#64;

!157,!#64;

!158,!#64;

!160,!#64;

!0,!#65;

!1 59,!#65;

!0,!#66;

!156,!#66;

!158,!#66;

!160,!#66;

!161,!#66;

!162,!#66;

!163,!#66;

!164,!#66;

!0,!#67;

!165,!#67;

!0,!#68;

!162,!#68;

!16 4,!#68;

!166,!#68;

!167,!#68;

!168,!#68;

!170,!#68;

!0,!#69;

!169,!#69;

!0,!#70;

!168,!#70;

!170,!#70;

!171,!#70;

!172,!#70;

!173,!#70;

!1 74,!#70;

!176,!#70;

!0,!#71;

!175,!#71;

!0,!#72;

!176,!#72;

!177,!#72;

!178,!#72;

!179,!#72;

!180,!#72;

!0,!#73;

!180,!#73;

!181,!#73;

!0,! #74;

!182,!#74;

!183,!#74;

!184,!#74;

!186,!#74;

!0,!#75;

!185,!#75;

!0,!#76;

!184,!#76;

!187,!#76;

!188,!#76;

!189,!#76;

!190,!#76;

!192, !#76;

!0,!#77;

!191,!#77;

!193,!#77;

!0,!#78;

!192,!#78;

!194,!#78;

!195,!#78;

!196,!#78;

!198,!#78;

!0,!#79;

!197,!#79;

!0,!#80;

!196,!#80 ;

!198,!#80;

!199,!#80;

!200,!#80;

!201,!#80;

!202,!#80;

!204,!#80;

!0,!#81;

!203,!#81;

!205,!#81;

!0,!#82;

!204,!#82;

!206,!#82;

!207,!#8 2;

!208,!#82] Comparative performance ChemAxon 5.5 (Java) Total Match Time to read file 47.57s Time to match '

[!0]'

53.74s 6.17s `radioactive.sma` 65.05s 17.48s Interpreters vs compilers ? Most SMARTS matchers are implemented as interpreters , that parse the SMARTS string at run- time, build an internal parse tree, and then repeatedly traverse this at match-time. ? This is analogous to scripting in Perl or Python. ? For static patterns, the SMARTS may be compiled (parsed and optimized) ahead of time for faster execution at match-time. ? This is analogous to compilation in C or Fortran. generated jchem source code static boolean isRadioactive(chemaxon.struc.Molecule mol) { int count = mol.getAtomCount();