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:
Jul. 16, 2024
Filed:
Sep. 04, 2020
University of Central Florida Research Foundation, Inc., Orlando, FL (US);
Jiann-Shiun Yuan, Winter Springs, FL (US);
Debopam Chakrabarti, Winter Springs, FL (US);
Milad Salem, Orlando, FL (US);
Arash Keshavarzi Arshadi, Oviedo, FL (US);
University of Central Florida Research Foundation, Inc., Orlando, FL (US);
Abstract
An example method for training a graph convolutional neural network (GCNN) configured for virtual screening of molecules for drug discovery is described herein. The method can include receiving a first data set including a plurality of molecules, and training the GCNN to initialize one or more parameters of the GCNN using the first data set. The method can also include receiving a second data set including a plurality of molecules and respective inhibition rates for a disease, and training the GCNN to refine the one or more parameters of the GCNN using the second data set. The molecules in the first and second data sets can be expressed in a computer-readable format. An example method for virtually screening molecules on() is also described herein.