The overall objective of this project is to develop multi-platform software allowing the computational chemist to perform a comprehensive series of molecular properties calculations and data analysis on Internet. The software will be based on three-tier architecture that is becoming widespread to provide client-server services over the world.
The developed software will be user-friendly and will allow a simple incorporation of new modules (including proprietary software) developed by other researches. A unique feature of this system will allow such modules to run on computers where the software was developed while the calculation results will be available world-wide.
E-DRAGON is the electronic remote version of the well known software DRAGON, which is an application for the calculation of molecular descriptors developed by the Milano Chemometrics and QSAR Research Group of Prof. R. Todeschini. These descriptors can be used to evaluate molecular structure-activity or structure-property relationships, as well as for similarity analysis and highthroughput screening of molecule databases.
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