| Statistically-guided Selection of Primary Positives in HTS |
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Presentation: 2A02 Session: CheminformaticsJulio Martin and Jesus Herranz, GlaxoSmithKline Presenting Author: Julio Martin, GlaxoSmithKline - Spain Selection of primary positives in HTS is commonly made on the basis of potency above a particular cut-off of activity that accommodates logistics. Hence, some putatively weak, but still valuable, true hits may have to be abandoned. Moreover, apparently weak compounds may turn out to be potent if they were actually being tested at a concentration lower than that intended. The reliability of the activity value highly depends upon the quality of the assay and the distribution of activity for the population of samples tested. In all, a hit selection process minimizing rates of false positives and negatives would optimize the usage of limited screening resources. We will comment on statistical methodologies that can be efficiently applied to improve the probability of success of the hit selection process in HTS. These include usage of a statistical cut-off based on the variability of the population of inactive samples from the HTS campaign. |