Fig. 11From: Target prediction utilising negative bioactivity data covering large chemical spaceDistribution of Tanimoto coefficient (Tc) values for nearest neighbours for specific targets. A Tc value of 0.595 encompasses 90 % of the compound ligand pairs observed, while a value of 0.424 encapsulates 95 % of the compound pairs. Hence, a Tc value of 0.424 was employed as the exclusion radius to sample suitable ‘presumed inactive’ compoundsBack to article page