Molecular design support system
US5572439A · kind A · utility
Assignee
Inventors
Key dates
| Filing date | May 22, 1996 |
| Grant date | Nov 5, 1996 |
| Priority date | — |
| Expiry date | May 22, 2016 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/80
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A molecular design support system comprises a display device, a database for storing information about atoms forming a molecule in terms of atomic component information, and a processing unit for manipulating the atomic component information to assemble a molecular structure in terms of the atomic components. The atomic component information in turn comprises atomic data and bond data, wherein the atomic data comprises: identification data for identifying the atom forming the atomic component; the coordinate of the foregoing atom; the number of the orbitals associated to the atom; and the coordinate showing the position of free end of the orbital included in the atomic component. Bond data comprises: identification data for identifying the atom that is bonded to the free end of the orbital in the atomic component; identification data for identifying the orbital associated with the atom that is bonded to the foregoing free end; and identification data for identifying the bond order of a bond that is established between the atom forming said atomic component and the atom that is attached to the free end.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.