Generative AI for Drug Discovery: GPT-2 and LSTM-Based Models for Designing EGFR Inhibitors
This work creates new EGFR inhibitors using generative artificial intelligence (AI) by fine-tuning a GPT-2 model on a dataset comprising around 500,000 molecules from the ChEMBL database by showing the synergy between AI and in silico drug design.
Omar Dasser, Othman Filali Benaceur, Salma Fadel et al.
· Medinformatics · 0 citations