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:
Jun. 11, 2024
Filed:
May. 22, 2019
International Business Machines Corporation, Armonk, NY (US);
Rebecca Morones, Berthoud, CO (US);
Sarah K. Czaplewski-Campbell, Rochester, MN (US);
Melissa K. Miller, Research Triangle Park, NC (US);
Mary E. Rudden, Denver, CO (US);
Craig M. Trim, Ventura, CA (US);
International Business Machines Corporation, Armonk, NY (US);
Abstract
Techniques for probabilistic analysis of chemicals are provided. An indication of a proposed chemical composition is received. A predicted toxicity score is generated for the proposed chemical composition by performing probabilistic analysis on the proposed chemical composition. The probabilistic analysis includes identifying, based on a knowledge graph, at least one similar composition that is structurally similar to the proposed chemical composition. The analysis also includes identifying a set of chemical reactions that include the at least one similar composition, and determining one or more products of the identified set of chemical reactions. The probabilistic analysis further includes determining a toxicity of at least one of the one or more products. Finally, the predicted toxicity score is returned.