Towards the Generation of Biophore Models LeadId logo

HTS Data Analysis and Lead Identification

The development of a new drug in pharmaceutical research is extremly time consuming and expensive. On the average the complete research process from the early screening experiments to the clinical testing takes 10 to 15 years and costs about 150-300 million dollars. Recent efforts to minimize development time and cost led to automatization and minituarization of modern drug testing systems. Through the rapid progress in the fields of combinatorial chemistry and high-throughput screening (HTS) there is an increasing need of interpreting huge amounts of errorneous data.
Today it is possible to test the binding affinity of several tenthousands potential drug candidates per day. The results of these experiments are analyzed with the help of special computer software (CADD).

Leadid Advertising

The LeadId project aims at developing computer methods for HTS data analysis. We designed a novel software tool that guides the chemist through the process of selecting suitable hits to find new lead structures. Input are the results from the HTS experiment (i.e. binding information and the corresponding molecular structures). Output is a list with several possible biophores. The datamining process is totally interactive and all results are presented in a user friendly interface.


Public accessable:


 [*] LeadId Project (project partners, goals, methods)

 [*] HTSview Software (features)

new: test version will be available in august '03

 [*] Contact Information


Private part:


 [*] Reports (status reports, meetings, paper)

Presentations (slides from meetings and conferences)

 [*] Download Area (binaries, tutorial, config files, data sets, scripts)

 [*] Support Forum (white board, FAQ)

© 2003 Marc Zimmermann, Modfied: Tuesday, August 12, 2003