Examples for General and Local ADME Models

In the following sections, this overview provides examples for both general and local models to illustrate different approaches for building models on structurally diverse or related training sets. Datasets for intestinal human absorption and human serum albumin binding will be discussed in detail while models for other relevant ADME properties have also been obtained. In addition, two local models will also be discussed addressing intestinal absorption from both an in vitro and an in vivo perspective. Those models, however, do not stand alone, but are used in combination with complementary models tailored for affinity and selectivity in the frame of multidimensional lead optimization. 

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