DeepSIBA: Chemical Structure-based Inference of Biological Alterations

1 code implementation • 1 Apr 2020 • C. Fotis, N. Meimetis, A. Sardis, L. G. Alexopoulos

Finally, we present a novel inference approach, where the trained models are used to estimate the signaling pathways affected by a compound perturbation in a specific cell line, using only its chemical structure as input.

Drug Discovery