Fig. 3

Scheme of the reliability correction of the distance D _i attributed to training compound i. The sphere’s radius, Di, will be decreased proportionally to the reliability of compound i. For example, if (1 − STD) × agreement is 80%, D _i will be reduced by 20% of its initial value, which means that the 2 of the initial 3 external instances that were covered by compound i will end up outside the neighbourhood coverage area supplied by this training compound