User 22c88daf92
02-01-2013 09:56:34
hello!
We use the Calculator Plugins to predict the properties of molecule, but there are still some properties we can't find the API of the document, as following:
1. Highest Occupied Molecular Orbital (HOMO)
2. Lowest Unoccupied Molecular Orbital (LUMO)
3. Aggregator Probability
4.Carcinogencity
5. logS
Is there any java examples?
thanks!