Table 1.
Exact pattern discovery | Chemical equivalency set | Structural equivalency set | ||||||
Pattern | Score | Significance | Pattern | Score | Significance | Pattern | Score | Significance |
FE.P...F | 1 | -15.53 | [ST]P.NPTG | 1 | -24.47 | [DLN]. [DLN]... [KMR]. [ITV] [CS] | 1 | -15.21 |
SP.NP.G | 0.99 | -19.82 | [ST]PNNP.G | 1 | -25.08 | [CS]..NPTG | 1 | -19.71 |
V...EP...H | 0.99 | -15.40 | [ILMV]..P.NP.G | 1 | -18.46 | SP.NP.G | 0.99 | -19.82 |
GPY.G | 0.99 | -14.93 | [ST]PN..T [AG] | 1 | -18.51 | [CS]... [FHWY]. [FHWY].N | 0.99 | -12.60 |
G...GPY | 0.98 | -15.08 | [ST]P.NP.G | 0.99 | -18.81 | [EQ].P [FHWY] [ITV].V | 0.99 | -17.76 |
P.NPTG | 0.98 | -19.68 | [ILMV] [KR]EP [FY] | 0.99 | -17.54 | [FHWY]P.E [FHWY]I | 0.99 | -19.11 |
PNNP.G | 0.98 | -20.06 | SP.NP.G | 0.99 | -19.82 | [ITV]..P.NP.G | 0.99 | -18.80 |
PY..SG | 0.98 | -14.71 | [ILMV] [KR]EPF | 0.99 | -17.91 | GPY.G | 0.99 | -14.93 |
NNPT | 0.97 | -14.60 | [ILMV].... [QN]P.G | 0.99 | -12.62 | [CS].PNNP | 0.99 | -19.63 |
V.....N..T | 0.97 | -8.11 | [QN]..FV [FY] | 0.99 | -13.97 | V...EP...H | 0.99 | -15.40 |
P..YP.K | 0.97 | -15.59 | E.GP [FY] | 0.99 | -14.82 | [ITV].SP. [DLN]P | 0.99 | -17.67 |
N...P.PE | 0.97 | -14.86 | GPY.G | 0.99 | -14.93 | PY.. [CS]G | 0.98 | -14.52 |
GPY...G | 0.97 | -15.25 | PNNP [ST] | 0.99 | -19.40 | P.NPTG | 0.98 | -19.68 |
SP.N..G | 0.97 | -14.40 | [ILMV]. [ST].N...G | 0.99 | -12.25 | G...GPY | 0.98 | -15.08 |
S..NP.G | 0.96 | -14.26 | GY.. [ILMV].K | 0.99 | -13.20 | PNNP.G | 0.98 | -20.06 |
T...NP.G | 0.96 | -14.38 | C [ST]..NP | 0.99 | -14.33 | [ITV] [FHWY]E...F | 0.98 | -13.02 |
PYG.S | 0.96 | -15.07 | V...EP...H | 0.99 | -15.40 | PY..SG | 0.98 | -14.71 |
QL.......Y | 0.96 | -9.12 | [QN] [ST]P.N. [ST] | 0.99 | -17.92 | S..P.D [KMR] [DLN] | 0.98 | -18.12 |
R...Y.P | 0.96 | -9.35 | [ILMV]... [ST]P.N.T | 0.99 | -17.30 | K.P [FHWY]T.. [ITV] | 0.98 | -18.59 |
N.K..F | 0.96 | -9.03 | P [FY]PE. [AG] | 0.99 | -19.53 | [KMR]..GP [FHWY].. [ITV] | 0.98 | -18.21 |