US 12,481,658 B1
Creating domain-specific language representations of chemical structures
Nathaniel H. Park, San Jose, CA (US); Tim Erdmann, San Jose, CA (US); and James L. Hedrick, Pleasanton, CA (US)
Assigned to International Business Machines Corporation, Armonk, NY (US)
Filed by International Business Machines Corporation, Armonk, NY (US)
Filed on Aug. 8, 2024, as Appl. No. 18/797,730.
Int. Cl. G06F 16/2455 (2019.01); G06N 3/092 (2023.01)
CPC G06F 16/2455 (2019.01) [G06N 3/092 (2023.01)] 20 Claims
OG exemplary drawing
 
1. A method comprising:
receiving a textual description of a first chemical structure;
applying a first machine learning model to the textual description to generate a first data structure indicating components of the first chemical structure and bonds between the components of the first chemical structure;
applying a second machine learning model to the first data structure to generate a first description of the first chemical structure using a domain specific language; and
querying a database using the first description such that the database outputs a second description of a second chemical structure using the domain specific language stored in the database.