Polymer property prediction
Use repeat-unit PSMILES to estimate selected polymer properties with the released CEMP models.
Supported outputs
The public PSMILES API returns Tg and Tm in K, Young’s modulus and tensile strength in MPa, and total dielectric constant without units.
Supply a repeat unit
Use a structure with attachment sites, such as the PEO example below. The public API preprocesses the input and constructs a molecular fingerprint before running the released models.
Interpret the estimates
A repeat-unit string does not specify molecular weight, sample preparation or test conditions. Compare estimates with well-matched measurements before using them to make material decisions.
Example input or output
PEO repeat unit / PEO 重复单元: [*]CCO[*]