ToDD: Topological Compound Fingerprinting in Computer-Aided Drug
Discovery

ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery

7 November 2022

Baris Coskunuzer

I. Segovia-Dominguez

Papers citing "ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery"

11 / 11 papers shown

Title
Topology-Aware CLIP Few-Shot Learning Dazhi Huang VLM 42 0 0 03 May 2025
TopER: Topological Embeddings in Graph Representation Learning Astrit Tola Funmilola Mary Taiwo Cüneyt Gürcan Akçora Baris Coskunuzer 38 0 0 02 Oct 2024
Scalar Function Topology Divergence: Comparing Topology of 3D Objects I. Trofimov Daria Voronkova Eduard Tulchinskii Evgeny Burnaev Serguei Barannikov 35 0 0 11 Jul 2024
D-GRIL: End-to-End Topological Learning with 2-parameter Persistence Soham Mukherjee Shreyas N. Samaga Cheng Xin Steve Oudot Tamal K. Dey 53 6 0 11 Jun 2024
EMP: Effective Multidimensional Persistence for Graph Representation Learning I. Segovia-Dominguez Yuzhou Chen Cüneyt Gürcan Akçora Zhiwei Zhen Murat Kantarcioglu Yulia R. Gel Baris Coskunuzer 51 4 0 24 Jan 2024
SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction Andac Demir Francis Prael B. Kiziltan 29 2 0 12 Dec 2023
Improving Self-supervised Molecular Representation Learning using Persistent Homology Yuankai Luo Lei Shi Veronika Thost SSL 39 8 0 29 Nov 2023
Multiparameter Persistent Homology for Molecular Property Prediction Andac Demir B. Kiziltan 35 1 0 17 Nov 2023
Stable Vectorization of Multiparameter Persistent Homology using Signed Barcodes as Measures David Loiseaux Luis Scoccola Mathieu Carrière M. B. Botnan S. Oudot 35 19 0 06 Jun 2023
GRIL: A $2$ -parameter Persistence Based Vectorization for Machine Learning Cheng Xin Soham Mukherjee Shreyas N. Samaga T. Dey 45 15 0 11 Apr 2023
Statistical topological data analysis using persistence landscapes Peter Bubenik 114 846 0 27 Jul 2012