Related Experiment Video
Updated: Mar 19, 2026

A Combined 3D Tissue Engineered In Vitro/In Silico Lung Tumor Model for Predicting Drug Effectiveness in Specific Mutational Backgrounds
Published on: April 6, 2016
The Use of In Silico Models Within a Large Pharmaceutical Company
Alessandro Brigo1, Wolfgang Muster2
1Roche Pharmaceutical Research and Early Development, Pharmaceutical Sciences, Roche Innovation Center Basel, Basel, Switzerland. alessandro.brigo@roche.com.
Abstract:
The present contribution describes how in silico models are applied at different stages of the drug discovery process in the pharmaceutical industry. A thorough description of the most relevant computational methods and tools is given along with an in-depth evaluation of their performance in the context of potential genotoxic impurities assessment.The challenges of predicting the outcome of highly complex studies are discussed followed by considerations on how novel ways to manage, store, share and analyze data may advance knowledge and facilitate modeling efforts.
Related Concept Videos
Drug Discovery: Overview
Pharmacokinetic Models: Overview
There are three primary types of models: empirical, compartment, and physiological. Empirical models, with minimal...
Impact of Pharmacokinetic–Pharmacodynamic Models: Regulatory Decisions
Pharmacodynamic Models: Overview
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
In Vitro Drug Dissolution: Compendial Testing Models I

