System and method for prediction of protein-ligand interactions and their bioactivity
US11176462B1 · kind B1 · utility
Assignee
Inventors
Key dates
| Filing date | Feb 9, 2021 |
| Grant date | Nov 16, 2021 |
| Priority date | — |
| Expiry date | Feb 9, 2041 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG06V30/40
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A system and method for computationally tractable prediction of protein-ligand interactions and their bioactivity. According to an embodiment, the system and method comprise two machine learning processing streams and concatenating their outputs. One of the machine learning streams is trained using information about ligands and their bioactivity interactions with proteins. The other machine learning stream is trained using information about proteins and their bioactivity interactions with ligands. After the machine learning algorithms for each stream have been trained, they can be used to predict the bioactivity of a given protein-ligand pair by inputting a specified ligand into the ligand processing stream and a specified protein into the protein processing stream. The machine learning algorithms of each stream predict possible protein-ligand bioactivity interactions based on the training data.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.