14 citations · 19 across the 10 of their papers we have counts for
4 papers · 1 filter
SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction
Andac Demir, Francis Prael, Bulent Kiziltan
In this study, we present a novel computational method for generating molecular fingerprints using multiparameter persistent homology (MPPH). This technique holds considerable sign…
ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery
Andac Demir, Baris Coskunuzer, Ignacio Segovia-Dominguez +3
In computer-aided drug discovery (CADD), virtual screening (VS) is used for identifying the drug candidates that are most likely to bind to a molecular target in a large library of…
EEG-GNN: Graph Neural Networks for Classification of Electroencephalogram (EEG) Signals
Andac Demir, Toshiaki Koike-Akino, Ye Wang +2
Convolutional neural networks (CNN) have been frequently used to extract subject-invariant features from electroencephalogram (EEG) for classification tasks. This approach holds th…
AutoBayes: Automated Bayesian Graph Exploration for Nuisance-Robust Inference
Andac Demir, Toshiaki Koike-Akino, Ye Wang +1
Learning data representations that capture task-related features, but are invariant to nuisance variations remains a key challenge in machine learning. We introduce an automated Ba…