Structure Estimation Demonstration
Input Information

This example demonstrates how Cranium can estimate the physical properties of a chemical given only its molecular structure. Enter the chemical's SMILES, select one or more properties, enter temperaure values, and then press the Estimate Values button. An MKS Request will be generated, sent to Cranium for processing, and returned containing newly estimated property values. These estimates will be displayed on the results page.

SMILES String
Properties (maximum of 10)
Temperatures [K]