Patent №
US 9,535,583
Granted
2017-01-03
Filed 2012
Owner
CAMBRIDGESOFT CORPORATION
+1 more
Lab
—
AI components
3
kr · evo · hardware
Assignment
Recorded
Dataset
AIPD
2023_r1 edition
Application
13714307
Systems, methods, and apparatus are provided that allow a user to draw and edit a chemical structure. Aspects of the present disclosure may include receiving an input corresponding to an amendment to a portion of an in-progress chemical structure, and identifying, based at least in part upon the amended in-progress chemical structure, one or more molecular scaffolds from a set of candidate molecular scaffolds. Each molecular scaffold may be configured to, upon one or both of (i) appending to the amended portion of the in-progress chemical structure and (ii) replacing or partially replacing the amended portion of the in-progress chemical structure, provide a resulting chemical structure or chemical structure fragment that has been previously rendered. The one or more molecular scaffolds may be provided for presentation on the graphical display as option(s) for selection by a user in creating the graphical representation of the chemical structure.
AI classification
Ownership
CAMBRIDGESOFT CORPORATION
assignment · 305130320
PERKINELMER INFORMATICS, INC.
namechg · 403080930
Assignors
SMELLIE, ANDREW, OLSON, MARK L.
On an employer assignment, the assignors are typically the inventors.