Skip to main content

Table 2 Effectivenss of clustering of high diverse MDDR dataset: ECFP_4 Fingerprint.

From: Using graph-based consensus clustering for combining K-means clustering of heterogeneous chemical structures

Clustering Method No. of clusters
    500 600 700 800 900 1000
Consensus (CSPA)   N = 5 57.36 61.39 65.25 68.93 71.90 74.69
   N = 10 58.51 64.01 67.98 70.23 75.04 75.79
   N = 15 61.28 64.45 68.16 71.27 73.44 74.34
   N = 20 60.78 64.92 68.70 71.22 74.37 74.45
   N = 25 62.03 65.88 68.46 71.11 75.04 74.27
   N = 30 61.85 64.64 67.27 70.17 73.35 76.01
   N = 35 62.23 65.91 68.44 71.30 72.97 73.75
   N = 40 61.67 64.62 67.79 69.31 73.61 74.92
   N = 45 61.80 65.11 67.96 71.37 74.07 75.41
   N = 50 60.91 64.96 68.56 70.57 74.57 73.33
Individual Wards' Method   64.86 68.89 74.12 76.09 79.13 82.23