The isoSoil Partner FQS Poland Sp. Z.o.o. will develop the algorithm that will predict the values of isotope-fractionation parameters and/or isotope effects. These parameters would be predicted by adopting the statistical data treatment, neural networks or data-mining methods that are also implemented in existing Fujitsu software (i.e. ADMEWORKS series of QSAR tools). Statistical models would be developed by using the experimental or theoretical values of the isotope-fractionation parameters and isotope effects. In order to store these data, appropriate database will be created. One should keep in mind that a lot of data regarding to the values of the isotope effects or/and isotope-fractionation parameters can already be found and mined in the literature, so this issue will be reconsidered also.

The research has received funding from the European Community's Seventh.
Framework Programme FP7/(2009-2012) under grant agreement no 212781.