Skip to main content

Table 1 Effectivenss of clustering of high diverse MDDR dataset: ALOGP 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 (HGPA)   N = 5 48.06 52.87 55.80 57.97 60.71 62.70
   N = 10 49.78 54.29 58.22 59.15 61.46 64.09
   N = 15 50.59 55.20 58.17 59.86 61.73 63.52
   N = 20 50.73 54.35 57.85 60.05 61.85 63.97
   N = 25 50.58 54.43 57.20 59.65 61.81 64.16
   N = 30 51.67 54.09 59.26 59.53 60.81 63.82
   N = 35 51.89 54.99 57.82 60.80 63.14 64.01
   N = 40 51.66 54.71 57.69 60.39 61.68 62.87
   N = 45 51.57 54.86 57.85 60.12 62.03 63.98
   N = 50 52.44 54.52 57.48 60.44 62.71 63.50
Individual Wards' Method   39.01 41.83 44.49 46.03 47.89 49.45