WSURF Case 832
Line Walking Recursive Partitioning
Summary
On average, it costs over $800M, and takes 8 years to bring a new drug to market. One estimate is that for every 100,000 compounds screened, about 100 hits are identified. Of these 100 hits, only one makes it to the lead compound stage. Between 40% and 60% of these lead compounds fails toxicity testing. Over 72% of the costs for drug development are wasted on failures. The drug industry is focused on streamlining the optimization process and is in search of tools to reduce these losses. According to Kalorama Information, the world market for drug discovery informatics products will top $1 billion in the next three years. Leading growth in the area is the in-silico modeling tools segment, which promises to provide valuable structural, screening, and validation information at a fraction of the costs of traditional methods. LWRP provides a more versatile, streamlined approach to traditional in-silico modeling methods.
Applications & Advantages
- Employs few descriptors preventing over-fitting
- Can be added onto existing ADME prediction methods
- Accurate prediction outside of training data
IP Status
This technology is protected by a provisional patent application. Exclusive worldwide rights are available.
Publications
M. Hudelson and J. Jones, Line-Walking Method for Predicting the Inhibition of P450 Drug Metabolism, J. Med. Chem., 2006, 49(14), 4367-4373
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