Molcode Toolbox software predict a wide range of experimentally unknown values of properties of compounds including physicochemical, biological, ADME-Tox, ecological pathways/ecotoxicity and adverse drug effects.
The modules of Molcode ToolBox software consist of internally encoded computational models built on various datasets related to the aforementioned properties. All the models in Molcode Toolbox are specified by model`s name, CAS-number (not obligatory) and systematic name of compounds, (bio)assay, property/activity value and unit, and reference.
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