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Computer systems for the prediction of toxicity: an update
1MS 8274-1246, Drug Safety Evaluation, Pfizer Global Research and Development, Eastern Point Road, Groton, CT 06340, USA. nigel_greene@groton.pfizer.com
Advanced Drug Delivery Reviews
|March 30, 2002
Summary
Computer-aided toxicity prediction software helps pharmaceutical and chemical companies accelerate the discovery of new products. These computational tools efficiently screen candidate compounds, reducing development time and costs.
Area of Science:
- Computational toxicology
- Drug discovery and development
- Chemical and product safety assessment
Background:
- The pharmaceutical, agrochemical, and personal product industries face pressure to reduce development time and costs while increasing product output.
- Advancements in combinatorial chemistry and high-throughput screening (HTS) have led to a surge in new candidate structures.
- This necessitates faster methods for evaluating the toxicological properties of these compounds.
Purpose of the Study:
- To review commercially available computer software systems for toxicity prediction.
- To discuss the strengths and limitations of these predictive toxicology tools.
Main Methods:
- Review and analysis of major commercially available computer software for toxicity prediction.
- Evaluation of the capabilities, strengths, and limitations of each system.
Main Results:
- Computer methods for toxicity prediction offer a viable solution for screening large numbers of compounds early in the development process.
- The paper discusses various software systems, highlighting their advantages and disadvantages in predicting toxicological properties.
Conclusions:
- Computational toxicology tools are essential for efficient and cost-effective product development in relevant industries.
- These methods enable early screening of candidate structures, mitigating risks and accelerating the path to market.