DRAW-AHEAD FEATURE FOR CHEMICAL STRUCTURE DRAWING APPLICATIONS

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

AI hardware0.98
Evolutionary computation0.89
Knowledge representation0.69
Planning0.03
Natural language0.01
Machine learning0.00
Vision0.00
Speech0.00

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.

From the same owner

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