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Table 4 Scaffolds shared between pairs of clustered datasets.

From: Structural diversity of biologically interesting datasets: a scaffold analysis approach

Datasets

D

M

T

P

L

N

C

D

100%

123

(6%; D: 7%,

M: 42%)

192

(7.5%; D: 10%, T: 21%)

347

(2.4%; D: 19%,

P: 3%)

310

(1.4%; D: 17%, L: 1%)

840

(2%; D: 45%,

N: 2%)

1347

(1.0%; D: 72%, C: 1%)

M

 

100%

71

(6.3%; M: 24%, T: 8%)

140

(1.1%; M: 47%,

P: 1%)

68

(0.3%; M: 23%, L: 0.3%)

230

(0.5%; M: 78%,

N: 0.5%)

215

(0.2%, M: 73%,

C: 0.2%)

T

  

100%

174

(1.3%; T: 19%,

P: 1%)

144

(0.7%; T: 16%, L: 1%)

534

(1.2%, T: 59%,

N: 1%)

532

(0.4%, T: 59%, C: 0.4%)

P

   

100%

706

(2.1%; P: 5%,

L: 3%)

1734

(3.1%; P: 13%,

L: 8%)

1947

(1.4%, P: 15%, C: 1.5%)

L

    

100%

2753

(4.4%; L: 13%,

N: 6%)

3470

(2.4%; L: 16%, C: 3%)

N

     

100%

7600

(5.0%; N: 17%, C: 6%)

C

      

100%

  1. The overall percentage of shared scaffolds is given in the brackets, along with percentages of shared scaffolds from each contributing dataset.
  2. D: Drugs, M: Metabolites, T: Toxics, P: Natural Products, L: Leads, N: NCI, C: ChEMBL.