Fig. 6From: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomesClustering performance in the function of the similarity threshold. On each figure shown are the sensitivity and specificity values associated with the determined t α , i.e. the ‘obvious’ local maximum to choose. Dashed vertical line indicates the location of t α on the x-axis. a In the case of the SCL dataset both sensitivity and specificity values meet the ideal value of 1 over a range of similarity thresholds (0.19 ≤ t ≤ 0.27 and at t = 0.23). Please note that above t = 0.91 the similarity network only consists of singletons, therefore the respective experimental points are not displayed on the graph. b In the case of the WOMBAT dataset the value of sensitivity and specificity associated with t α = 0.40 are 0.8689 and 0.9994, respectively. The deviation between these values and their observed maximum is acceptable. c In the case of the PubChem MLSMR dataset the sensitivity and specificity associated with t α = 0.50 are 0.4905 and 0.9997, respectively. The deviation between these values and their observed maximum is acceptableBack to article page