Preclinical development: in silico models for investigating metabolism and toxicity of candidate drugs

With recent advances in the adoption of the 3R approach to nonclinical testing by the pharma regulators, in silico testing methods became even more prominent in the process of drug development. Following OECD’s lead, more and more nonclinical tests are being simulated using mathematical models and machine learning protocols. The application of such methodologies has moved from strictly experimental to everyday use and has found a place in the evaluation of candidate drugs, allowing for their characterization before they are even synthesized. QSAR suites have now become freely available to the public and easier to use with each passing day. In this presentation, we will explore the power of in silico models, how can they be used in everyday activities and the technological advances behind the concept.