Each prediction takes the form of a structural alert, identifying the structural feature which gives rise to the predicted risk of toxicity. Furthermore, Lhasa Limited’s reasoning-based system provides an estimate of the level of likelihood associated with the alert, based on precedence from experimental data (Judson, Stalford, & Vessey, 2013). The potential results for a Derek Nexus prediction are as follows:

  • ‘No report’ indicates that the query compound does not contain any structural alerts associated with that endpoint and there are no reasons based on the physical properties of the compound to predict either activity or inactivity
  • ‘Equivocal’ is defined as meaning that there is an equal weight of evidence for and against a proposition
  • ‘Plausible’ indicates that the weight of evidence supports the proposition
  • ‘Probable’ means that there is at least one strong argument that the proposition is true and there are no arguments against it
  • ‘Inactive’ indicates that the compound will not be active or toxic.

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