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Properties Estimation

Polymer

Molecular Orbital

Material Design

Chemical Engineering

ChemNeuro
(Japanese only)

Trouble Shooting

Draw molecule at cyan panel. How to use animation1, animation2
Change atom type or delete atom, mouse down and up at the same atom.

Cis-, Trans- compounds return average of both.
Hydrogen will be added automatically by program.

We calculate all compounds listed in our database with MOPAC PM3. Heat of formation, HOMO energy, LUMO energy, surface area, volume and dipole moment is obtained from MOPAC calculation. We built neural network reproduce MOPAC PM3 calculation. Heat of formation, HOMO energy and LUMO energy can be obtained only drawing molecular structure.