Combining information from screening data, version 3.0 of Screener pinpoints false-negatives and reduces false-positive rates. The computational system enables characterization of compounds and structural clusters at an early stage of the drug discovery process, increasing success rates and reducing the costs of pharmaceutical research.
Currently, the process of screening is the main route for identifying starting points for the development of new chemical entities in Pharma companies. Based on screening results, time-consuming and costly drug development projects are either started or rejected.
The Screener software can aid in this decision as, for the first time, scientists can routinely and systematically relate screening data to compound and assay information via integrated databases. The new chemical cross-validation module exploits advanced classification algorithms to validate structure-activity hypotheses.
Swen Reimann, business development manager for Genedata told DrugResearcher.com: "Genedata also provides tailor-made computational solutions for different stages of the drug discovery and development process with a combination of comprehensive, computational platforms and scientific consulting services."
"We have identified a clear need for specialized scientific software to support this decision making process. The system provides processing of the large-scale data sets generated and their interpretation by suitable analysis workflows."
Primarily aimed at high throughput screening (HTS), lead discovery and profiling departments in Pharma and Biotech, Screener's approach significantly accelerates data processing, whilst also increasing data quality by performing automated quality filtering using validated algorithms. Its operational database connects specialized workflow modules within an integrated system. Built-in reporting functionalities support company-wide result sharing. Audit trail functionalities provide full QC throughout the screening workflow.
Genedata have recently added a new Sarileo module for its Screener software, integrating chemoinformatics functionality such as similarity search, compound clustering and chemical homogeneity profiling into Genedata's platform for cross-assay bioactivity profiling
"There is the big unmet challenge for concise interpretation of screening results to bridge the biological and chemical space. For this purpose we developed the Sarileo module," he added.
The Genedata Screener 3.0 software is available to the general public as of Aug. 2004. Pricing is provided upon request.