| Link | Link to dataset |
|---|
| Author | Search for: Hostas, Jiri1; Search for: Tessier, Frederic2 |
|---|
| Affiliation | - National Research Council of Canada. Digital Technologies
- National Research Council of Canada. Metrology Research Centre
|
|---|
| Format | Text, Dataset |
|---|
| Edition | VNFlow-v1.0.0 |
|---|
| Subject | drug-discovery; normalizing-flows; variational-autoencoder |
|---|
| Abstract | This repository accompanies the first report on integrating variational autoencoders with normalizing flows into a comprehensive molecular design workflow. Our approach has generated novel molecules with performance metrics exceeding those found in the ChEMBL database, underscoring its potential for identifying promising drug candidates. It has been published as an open-access article in the Journal of Cheminformatics. |
|---|
| Publication date | 2025-06-5 |
|---|
| Publisher | National Research Council Canada |
|---|
| Related publication | |
|---|
| Language | English |
|---|
| Export citation | Export as RIS |
|---|
| Collection | NRC Research Data |
|---|
| Record identifier | 111e4e68-4fbb-4671-9012-f80e8f791b52 |
|---|
| Record created | 2025-11-05 |
|---|
| Record modified | 2025-11-05 |
|---|
