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:
Jul. 28, 2026

Filed:

Dec. 02, 2022
Applicant:

Central South University, Changsha, CN;

Inventors:

Min Li, Changsha, CN;

Renyi Zhou, Changsha, CN;

Huimin Zhu, Changsha, CN;

Assignee:

Central South University, Changsha, CN;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G16C 20/50 (2019.01); G06N 3/042 (2023.01); G06N 3/0455 (2023.01); G16C 20/70 (2019.01);
U.S. Cl.
CPC ...
G16C 20/50 (2019.02); G06N 3/042 (2023.01); G06N 3/0455 (2023.01); G16C 20/70 (2019.02);
Abstract

The present disclosure provides a method for generating a small molecule based on a pharmacophore model, a device, and a medium. The method includes: using a fully connected graph to represent a pharmacophore model; using a feature extraction model based on a graph neural network to extract a feature vector of the pharmacophore model from the fully connected graph of the pharmacophore model; performing random sampling on a specified latent variable distribution to obtain a latent variable; and inputting the latent variable and the feature vector of the pharmacophore model to a pre-trained decoder to generate a molecule matching the pharmacophore model, where the pre-trained decoder is a decoder obtained by training a variational autoencoder with training samples.


Find Patent Forward Citations

Li, Min. (2026). Method for generating small molecule based on pharmacophore model, device, and medium (U.S. Patent No. 12694954). U.S. Patent and Trademark Office. https://idiyas.com/patent/badge/12694954

Data source: USPTO (United States Patent and Trademark Office) public patent records. Weekly synchronization. How IDiyas builds this profile

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