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:
Apr. 21, 2025

Filed:

May. 09, 2023
Applicant:

The Board of Trustees of the Leland Stanford Junior University, Stanford, CA (US);

Inventors:

Evan Nathaniel Feinberg, Palo Alto, CA (US);

Vijay Satyanand Pande, Woodside, CA (US);

Bharath Ramsundar, Fremont, CA (US);

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G06N 3/126 (2022.12); G06N 3/02 (2005.12); G06N 3/08 (2022.12); G16B 15/30 (2018.12); G16C 10/00 (2018.12); G16C 20/30 (2018.12); G16C 20/50 (2018.12); G16C 20/70 (2018.12);
U.S. Cl.
CPC ...
G06N 3/126 (2012.12); G06N 3/02 (2012.12); G06N 3/08 (2012.12); G16B 15/30 (2019.01); G16C 20/30 (2019.01); G16C 20/70 (2019.01); G16C 10/00 (2019.01); G16C 20/50 (2019.01);
Abstract

Systems and methods for spatial graph convolutions in accordance with embodiments of the invention are illustrated. One embodiment includes a method for predicting characteristics for molecules, wherein the method includes performing a first set of graph convolutions with a spatial graph representation of a set of molecules, wherein the first set of graph convolutions are based on bonds between the set of molecules, performing a second set of graph convolutions with the spatial graph representation, wherein the second set of graph convolutions are based on at least a distance between each atom and other atoms of the set of molecules, performing a graph gather with the spatial graph representation to produce a feature vector, and predicting a set of one or more characteristics for the set of molecules based on the feature vector.


Find Patent Forward Citations

Loading…