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:
Feb. 16, 2021

Filed:

Sep. 07, 2018
Applicant:

Accutar Biotechnology Inc., Brooklyn, NY (US);

Inventors:

Jie Fan, New York, NY (US);

Ke Liu, Shanghai, CN;

Xiangyan Sun, Shanghai, CN;

Assignee:

Accutar Biotechnology Inc., Brooklyn, NY (US);

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G16C 20/30 (2019.01); G16C 20/70 (2019.01); G16C 20/80 (2019.01); G06N 3/02 (2006.01);
U.S. Cl.
CPC ...
G16C 20/30 (2019.02); G16C 20/70 (2019.02); G16C 20/80 (2019.02); G06N 3/02 (2013.01);
Abstract

A computer-implemented method for predicting molecule properties is disclosed. According to some embodiments, the method may include receiving an input file of a compound. The method may also include implementing a neural network to determine molecular configurations of the compound based on the input file and a plurality of molecular descriptors associated with the compound. The method may also generating, using the neural network, one or more three-dimensional (3D) models of the compound based on the determined molecular configurations of the compound. The method may also include determining, using the neural network, energy scores of the one or more 3D models when the compound is docked into a protein. The method may further include determining a property of the docked compound based on the energy scores.


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