2 code implementations • 11 Feb 2022 • Benedek Rozemberczki, Lauren Watson, Péter Bayer, Hao-Tsung Yang, Olivér Kiss, Sebastian Nilsson, Rik Sarkar
Over the last few years, the Shapley value, a solution concept from cooperative game theory, has found numerous applications in machine learning.
1 code implementation • 10 Feb 2022 • Benedek Rozemberczki, Charles Tapley Hoyt, Anna Gogleva, Piotr Grabowski, Klas Karis, Andrej Lamov, Andriy Nikolov, Sebastian Nilsson, Michael Ughetto, Yu Wang, Tyler Derr, Benjamin M Gyori
In this paper, we introduce ChemicalX, a PyTorch-based deep learning library designed for providing a range of state of the art models to solve the drug pair scoring task.
no code implementations • 20 Nov 2021 • Gavin Edwards, Sebastian Nilsson, Benedek Rozemberczki, Eliseo Papa
For Artificial Intelligence to have a greater impact in biology and medicine, it is crucial that recommendations are both accurate and transparent.
3 code implementations • 4 Nov 2021 • Benedek Rozemberczki, Stephen Bonner, Andriy Nikolov, Michael Ughetto, Sebastian Nilsson, Eliseo Papa
In recent years, numerous machine learning models which attempt to solve polypharmacy side effect identification, drug-drug interaction prediction and combination therapy design tasks have been proposed.
2 code implementations • 28 Oct 2021 • Benedek Rozemberczki, Anna Gogleva, Sebastian Nilsson, Gavin Edwards, Andriy Nikolov, Eliseo Papa
We propose the molecular omics network (MOOMIN) a multimodal graph neural network used by AstraZeneca oncologists to predict the synergy of drug combinations for cancer treatment.