The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Aug. 11, 2020
Filed:
Jan. 11, 2019
International Business Machines Corporation, Armonk, NY (US);
Toshiyuki Hama, Setagaya, JP;
INTERNATIONAL BUSINESS MACHINES CORPORATION, Armonk, NY (US);
Abstract
Molecular structure generation with substructure representations is provided. The computer-implemented method, comprises: selecting, by a device operatively coupled to a processor, a vertex in an existing graph of a molecular structure; replacing, by the device, the selected vertex with a sub-structure representation of a molecule, the sub-structure representation including two or more vertices; connecting, by the device, a new vertex to the sub-structure representation in the existing graph to generate a new graph; labeling, by the device, each of a plurality of vertices of the new graph by a canonical labeling method; and determining, by the device, whether a vertex that has a minimum label is the new vertex.