Since MolWorks is made of the combination of a module group, it can add a new function easily. Then, let's introduce about some among the new functions planned to future.
The property estimation of molecule may be effective way for predicting macroscopic character of materials. However, the existing formulas for estimation were based on complicated formulas, and the accuracy of the prediction is not enough. Since the neural network method and genetic algorithm will be incorporated into MolWorks, it will be enabled to estimate properties of wide-range materials with very high accuracy.
Within MolWorks, BSI will provide the capability of "Molecular Mining" to show the structures of the molecules, which have a target properties. Furthermore, BSI will incorporate the functionality to estimate reaction pathway for the estimated structure.
BSI will provide the interface with the existing datebase and original database in MolWorks. When investigateing acquired information already exists on a database, it is not necessary to start up another program. Moreover, the results of quantum chemistry calculation and property estimation will be added to database automatically. You can build up your original database and formulas for property estimation with neural network.