In silico platform for xenobiotics ADME-T pharmacological properties modeling and prediction. Part I: beyond the reduction of animal model use

Abstract

There is an urgent need for efficient in silico ADME-T prediction tools for the selection of potent therapeutic drugs as well as the elimination of toxic compounds. This is particularly important in view of the high costs and ethical issues inherent to the use of animal models for drugs filtering. To achieve this mission, not only does the accuracy of in silico tools need to be improved, but also new experts in the field with skills in theoretical chemistry, clinical and fundamental biology have to be trained. Similarly, clinical biologists committed to the obligation of means and legally responsible for the results they generate could establish a legal framework that defines legal responsibilities when performing in silico predictions.