Method and system for computationally estimating transition geometry between reactant and product structures
CA 2431474 A1 · Owner: Govind, Niranjan · Inventors: King-Smith, Robert Dominic; Govind, Niranjan; Fitzgerald, George
Overview
Its claims, description and drawings are in the Canadian Patents Database.
Open the CIPO recordAbstract From the Canadian patent
A method of estimating transition state energies includes minimizing a sum involving computed atomic coordinates and interatomic distances. For periodic systems, terms of the sum are weighted according to the unit cell in which different atoms reside. For these periodic systems the sum may be truncated by not including terms corresponding, to atom pairs which have a separation distance which is greater than a threshold amount.
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Listed from its CIPO record in Patent Yard's archive of Canadian patents past their term. Its claims, description and drawings are in the CIPO record and on Google Patents, and the Claude kit works from them.
Why it's free to use
- Filed June 9, 2003. No grant is recorded for it in Canada; had it been granted, its 20-year term would have ended June 9, 2023.
- A certificate of supplementary protection adds at most two years for a drug, so even that would have ended by June 9, 2025.
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Everything on this page comes from the CIPO record linked above. Contains information licensed under the Open Government Licence – Canada.