| Exploring | Extracting | Evaluating | Encoding |
| Data Mining | Compounds | Relationships | Nanostructures |
| Libraries | Properties | Similarities | Macromolecules |
| Localities | Terms & Codes | Algorithms | (Meta)materials |
Extracting property data
of chemical compounds & mixtures
Reliable and
well-described physicochemical property data are critical
in molecular modeling, chemical engineering, environmental
risk assessment and other fields. The ThermoML Archive is
a valuable source for such data—offering open-access
data abstractions based on peer-reviewed journal articles.
The XML files of this continuously updated archive allow
automatic inspection and thermodynamic modeling of the
most-needed properties of chemical compounds and their
mixtures as a function of temperature, pressure and
concentration.
| Our ChemRange portal allows property-driven search of ThermoML documents for compounds & mixtures |
We develop and apply software to extract, correlate and estimate chemical properties based on molecular structure and thermodynamic concepts.
| Axeleratio Home | |
| ChemRange | CurlySMILES |
ThermoML Mining
>> About ThermoML>> Chemical property range
>> Multiple components
>> Solvent effects
Structure Encoding
>> CurlySMILES language>> CurlySMILES project
>> Enantiomers
>> Homopolymers
>> Thin solid films
Curiosity & Learning
>> Chemical trails>> Mushroom hunting
>> Culturomics
>> The Loomis legacy
>> 2-D solid electrolytes
