1 code implementation • 10 Apr 2023 • Atakan Yüksel, Erva Ulusoy, Atabey Ünlü, Tunca Doğan
Overall, our research demonstrates the benefit of using the SELFIES notations in the context of chemical language modeling and opens up new possibilities for the design and discovery of novel drug candidates with desired features.
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.
no code implementations • 27 Dec 2022 • Sebastian Lobentanzer, Patrick Aloy, Jan Baumbach, Balazs Bohar, Pornpimol Charoentong, Katharina Danhauser, Tunca Doğan, Johann Dreo, Ian Dunham, Adrià Fernandez-Torras, Benjamin M. Gyori, Michael Hartung, Charles Tapley Hoyt, Christoph Klein, Tamas Korcsmaros, Andreas Maier, Matthias Mann, David Ochoa, Elena Pareja-Lorente, Ferdinand Popp, Martin Preusse, Niklas Probul, Benno Schwikowski, Bünyamin Sen, Maximilian T. Strauss, Denes Turei, Erva Ulusoy, Judith Andrea Heidrun Wodke, Julio Saez-Rodriguez
Standardising the representation of biomedical knowledge among all researchers is an insurmountable task, hindering the effectiveness of many computational methods.