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

ArXiv (abs)PDF HTML

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

6 / 6 papers shown

Title
D-GRIL: End-to-End Topological Learning with 2-parameter Persistence Soham Mukherjee Shreyas N. Samaga Cheng Xin Steve Oudot Tamal K. Dey 134 6 0 11 Jun 2024
A ConvNet for the 2020s Zhuang Liu Hanzi Mao Chaozheng Wu Christoph Feichtenhofer Trevor Darrell Saining Xie ViT 171 5,192 0 10 Jan 2022
Topological Anomaly Detection in Dynamic Multilayer Blockchain Networks Dorcas Ofori-Boateng I. Segovia-Dominguez Murat Kantarcioglu Cüneyt Gürcan Akçora Yulia R. Gel 58 27 0 03 Jun 2021
Z-GCNETs: Time Zigzags at Graph Convolutional Networks for Time Series Forecasting Yuzhou Chen I. Segovia-Dominguez Yulia R. Gel AI4TS 67 142 0 10 May 2021
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 79 288 0 08 Feb 2020
An introduction to Topological Data Analysis: fundamental and practical aspects for data scientists Frédéric Chazal Bertrand Michel 96 596 0 11 Oct 2017

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