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:
Sep. 23, 2025
Filed:
Apr. 29, 2022
Molecular property prediction using edge-information fused global graph-read neural network function
Tata Consultancy Services Limited, Mumbai, IN;
Sagar Srinivas Sakhinana, Pune, IN;
Venkata Sudheendra Buddhiraju, Pune, IN;
Sri Harsha Nistala, Pune, IN;
Venkataramana Runkana, Pune, IN;
Tata Consultancy Services Limited, Mumbai, IN;
Abstract
This disclosure relates generally to system and method for molecular property prediction. The disclosed method includes mapping node embeddings of a molecular graph to a graph-level embedding characterizing the molecular graph. The graph level representation is acquired by pooling characteristics of hidden states of the nodes in the molecular graph by performing an iterative content based attention in a plurality of iterations. The content based attention is performed by considering an edge information fused transformed hidden state vector of the nodes of the molecular graph. The graph level embedding is fed through the linear projection to predict the molecular properties of the molecular graphs.