Bioreason launches software for lead optimization
the company's software system to increase success in the
hits-to-leads-to-clinic process within drug discovery.
Bioreason hope this software will speed up the drug discovery process by predicting the biological properties of a particular lead compound and its viability as a potential drug candidate. Suitable hits will then be turned into drug leads through chemical optimisation work, which can offer the potential to address and ease the bottlenecks currently encountered in the drug discovery process.
The ClassPharmer Suite Lite is ideally suited for screening data analysis, hit-to-lead development, lead optimization, and predictive toxicology. The software is based upon a set of proprietary algorithms that organize compounds into chemical classes learned from the data and defined by a common graph-based scaffold.
The further analysis of such classes increases the chance of finding drug leads from HTS with novel structural motifs, reduces screening costs with better rescreening lists and improves productivity during lead optimisation.
The ClassPharmer Suite Lite includes all classification, modelling and structure-property-relationship extraction functionalities of the Desktop, Server and Batch editions and is capable of analysing up to 2,000 compounds.
ClassPharmer Suite works by increasing the amount of information derived from the data. It reduces the analysis time by capturing knowledge from primary and secondary screening data in a consistent and chemically intuitive way. Most importantly, the results are presented in terms of structural classes.
With the new release, all four editions of ClassPharmer Suite (Lite, Desktop, Server and Batch) offer new features that add to the user's control over clustering and class modelling.
Dr. Patricia Bacha, product manager for ClassPharmer Suite at Bioreason said: "There was a demand for our patented clustering algorithm to be more flexible."
"We added new clustering options such as using fuzzy atoms, created a post-processing step that organizes the classes into families, and allowed users to further refine the classification manually by merging classes."
ClassPharmer Suite Lite is available at a cost of €3,000 for a one-year license.
