Search Results for author: Bulent Kiziltan

Found 6 papers, 0 papers with code

SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction

no code implementations12 Dec 2023 Andac Demir, Francis Prael III, Bulent Kiziltan

We explore the underlying topologies and patterns in molecular structures by applying Vietoris-Rips persistent homology across varying scales and parameters such as atomic weight, partial charge, bond type, and chirality.

Active Learning Drug Discovery +2

Multiparameter Persistent Homology for Molecular Property Prediction

no code implementations17 Nov 2023 Andac Demir, Bulent Kiziltan

In this study, we present a novel molecular fingerprint generation method based on multiparameter persistent homology.

Molecular Property Prediction Property Prediction

Topology-Aware Focal Loss for 3D Image Segmentation

no code implementations24 Apr 2023 Andac Demir, Elie Massaad, Bulent Kiziltan

To tackle this problem, we introduce a novel loss function, namely Topology-Aware Focal Loss (TAFL), that incorporates the conventional Focal Loss with a topological constraint term based on the Wasserstein distance between the ground truth and predicted segmentation masks' persistence diagrams.

Brain Tumor Segmentation Image Segmentation +2

EEG-NeXt: A Modernized ConvNet for The Classification of Cognitive Activity from EEG

no code implementations8 Dec 2022 Andac Demir, Iya Khalil, Bulent Kiziltan

One of the main challenges in electroencephalogram (EEG) based brain-computer interface (BCI) systems is learning the subject/session invariant features to classify cognitive activities within an end-to-end discriminative setting.

Brain Computer Interface EEG +2

ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery

no code implementations7 Nov 2022 Andac Demir, Baris Coskunuzer, Ignacio Segovia-Dominguez, Yuzhou Chen, Yulia Gel, Bulent Kiziltan

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 compounds.

Drug Discovery Graph Ranking

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