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.

Date of Patent:
Dec. 30, 2025

Filed:

Aug. 12, 2021
Applicant:

International Business Machines Corporation, Armonk, NY (US);

Inventors:

Ronaldo Giro, São Paulo, BR;

Mathias B. Steiner, Rio de Janeiro, BR;

Hsiang Han Hsu, Yokohama, JP;

Akihiro Kishimoto, Tokyo, JP;

Seiji Takeda, Tokyo, JP;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06N 20/00 (2019.01); B01D 53/22 (2006.01); B01D 65/10 (2006.01); G06N 5/04 (2023.01); G06Q 30/0201 (2023.01);
U.S. Cl.
CPC ...
B01D 65/10 (2013.01); B01D 53/22 (2013.01); G06N 5/04 (2013.01); G06N 20/00 (2019.01); G06Q 30/0201 (2013.01);
Abstract

A method and system of discovering materials for use in carbon dioxide separation includes extracting references to chemical molecules from online sources. The extracted references are encoded into chemical formulas. Molecular properties are calculated from the encoded chemical formulas. Features are extracted from the chemical formulas. Molecular properties of predicted molecular structures are predicted through a machine learning engine. The predicted molecular properties are based on the calculated molecular properties and extracted features. Target properties for predicted molecular structures are defined. Synthesized molecular structures are generated. The synthesized molecular structures include predicted molecular properties satisfying the defined target properties.


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