A pharmaceutical organization approached Strand with the need of a method of prioritising leads before beginning expensive animal testing. Strand built a custom model based on the organization’s proprietary compounds for a relevant animal pharmacokinetic parameter to be used by the organization as a preliminary screen. The training set consisted of about 100 compounds from three major chemical classes of interest. A set of 35 compounds were held back to be for external validation. Strand developed a remarkably accurate solution that predicted 96% of the compounds accurately in training, 94% in cross validation and 79% of the compounds in the external validation.

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