Preemptible-based scaffold hopping
US11501853B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Jul 20, 2020 |
| Grant date | Nov 15, 2022 |
| Priority date | — |
| Expiry date | May 12, 2041 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/50
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
In a method of molecular scaffold hopping an interface of a scheduler computer sends instructions, prepared by the scheduler computer, to a job runner computer to perform a plurality of separate computational tasks. Each of the separate computational tasks includes calculating one or more chemical properties for a query molecule or molecules in a library of molecules. One or more of the plurality of separate computational tasks performed on the job runner computer are preemptible computing instances. Status indicators sent from the job runner computer are received by the interface for each of the plurality of separate computational tasks. The indicators are one of: incomplete, completed, or failed computing instances. The interface resends the instructions to the job runner computer that correspond to the separate computational tasks having the failed computing instance indicator to increase fault-tolerance against the separate computational tasks not attaining the completed computing instance indicator.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.