Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

2 code implementations • 15 Feb 2023 • Atabey Ünlü, Elif Çevrim, Ahmet Sarıgün, Hayriye Çelikbilek, Heval Ataş Güvenilir, Altay Koyaş, Deniz Cansen Kahraman, Abdurrahman Olğaç, Ahmet Rifaioğlu, Tunca Doğan

DrugGEN can be used to design completely novel and effective target-specific drug candidate molecules for any druggable protein, given target features and a dataset of experimental bioactivities.

Molecular Graph Generation