As a multidisciplinary domain, environmental science integrates many different fields ranging from biology to chemistry to physics. COSMOtherm offers you a variety of options to tackle problems in many different fields of environmental research. Predicting properties with our software enables you to pre-select the necessary experimental setup and thus reduce lab time.
Predict thermodynamic data fast and reliably with COSMOtherm, for simple as well as for complex compounds. Important properties such as vapor pressure, water solubility, Henry’s law constants or even atmospheric lifetime are conveniently accessible through a special environmental panel.
Calculate partition coefficients between chemically well-defined phases directly and at various temperatures. For distribution issues involving complex, non-homogenous phases such as soil sorption or blood-brain partitioning COSMOtherm offers QSPR models using its own descriptors.
QSPR, QSAR and more
Build your own QSPR / QSAR models based on physically meaningful descriptors. With COSMOtherm, molecular descriptors are derived from surface polarity information and structural parameters. A number of models useful in environmental science are already available in the QSPR library.
- Profound environmental data prediction
- Meaningful descriptors for model development
- Fast QSPR models
- Reduce the number of experiments required