DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representations
Ahmet Süreyya Rifaioğlu, Esra Nalbat, Volkan Atalay, Maria Jesus Martin, Rengül Çetin-Atalay, Tunca Doğan · Chemical Science · 2020
screening of the chemogenomic space, to provide novel DTIs which can be experimentally pursued. The source code, trained "ready-to-use" prediction models, all datasets and the results of this study are available at ; https://github.com/cansyl/DEEPscreen.