ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery

被引：0

|

作者：

Demir, Andac ^{[1
]}

Coskunuzer, Baris ^{[2
]}

Segovia-Dominguez, Ignacio ^{[2
,3
]}

Chen, Yuzhou ^{[4
]}

Gel, Yulia ^{[2
,5
]}

Kiziltan, Bulent ^{[1
]}

机构：

[1] Novartis

[2] University of Texas, Dallas, United States

[3] Jet Propulsion Laboratory, Caltech, United States

[4] Temple University, United States

[5] National Science Foundation, United States

来源：

Advances in Neural Information Processing Systems | 2022年 / 35卷

基金：

美国国家科学基金会;

关键词：

Compilation and indexing terms; Copyright 2025 Elsevier Inc;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Digital libraries - Graph neural networks - Large dataset - Stability

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