De Novo Drug Design Using Transformer-Based Machine Translation and Reinforcement Learning of an Adaptive Monte Carlo Tree Search

De Novo Drug Design Using Transformer-Based Machine Translation and Reinforcement Learning of an Adaptive Monte Carlo Tree Search

The discovery of novel therapeutic compounds through de novo drug design represents a critical challenge in the field of pharmaceutical research. Traditional drug discovery approaches are often resource intensive and time consuming, leading researchers to explore innovative methods that harness the...

Full description

Bibliographic Details
Main Authors: Dony Ang, Cyril Rakovski, Hagop S. Atamian
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Pharmaceuticals
Subjects:
artificial intelligence
drug design
novel molecules
encoder–decoder
transformer
quantitative estimate of drug-likeness (QED)
Online Access:https://www.mdpi.com/1424-8247/17/2/161

Internet

https://www.mdpi.com/1424-8247/17/2/161

Similar Items