This tab containing the more novel aspect of the website, using the constructed biological profile to make predictions on external compounds. We do so first, by calculating which compounds are most similar based upon their individual response profile, we call this value the biological similarity between two molecules. It is based on the Tanimoto coefficient, as it is the intersection (number of assay responses that agree) divided by the union (where they agree and disagree). However, this calculation must consider inconclusive or untested respones (0's) and gives less weight to inactive responses. Generally, the biosimilarity between two compounds is calculated by the following formula:
$$ Biosim = \frac{active\thinspace agreements + inactive\thinspace agreements \times weight}{active\thinspace agreements + inactive\thinspace agreements * weight + disagreements} $$The denominator, or the union, is what we call the confidence value which allows us to asses the reliability of the biosimilary by evaluating the number of assays where both compounds have responses. The weight applied to inactive responses is as follows:
$$ weight =\frac{active\thinspace responses}{active\thinspace responses + inactive\thinspace responses}\times\frac{1}{2} $$