Concepedia

MolFPG: Multi-level fingerprint-based Graph Transformer for accurate and robust drug toxicity prediction

Saisai Teng, Chenglin Yin, Yu Wang, Xiandong Chen, Zhongmin Yan, Lizhen Cui, Leyi Wei

Computers in Biology and Medicine · 2023 · 32 citations · 46 references

Concepts

PharmacyPharmacologyToxicologyDrug DiscoveryPharmaceutical ToxicologyPharmacoinformaticsAdmet PredictionComputational ToxicologyDrug Knowledge RepresentationDrug-target Interaction MappingDrug-target Interaction NetworksToxicological Drug ScreeningComputational Cytotoxicity PredictionDrug Knowledge GraphsDrug Toxicity PredictionDrug-target Graph EmbeddingNetwork-based Drug Safety Modeling

References

46

MizAR 60 for Mizar 50

DROPS (Schloss Dagstuhl – Leibniz Center for Informatics) · 2023 · 76.3K citations · Full text

Computing, Computer Science, Computational Linguistics +14

Support-vector networks

Corinna Cortes, Vladimir Vapnik · Machine Learning · 1995 · 40.5K citations · Full text

Detecting Functionality-Specific Vulnerabilities via Retrieving Individual Functionality-Equivalent APIs in Open-Source Repositories

Dagstuhl Research Online Publication Server · 2025 · 16.2K citations · Full text

Computing, Computer Science, Feature Engineering +16

The Graph Neural Network Model

Franco Scarselli, M. Gori, Ah Chung Tsoi et al. · IEEE Transactions on Neural Networks · 2008 · 9.3K citations · Full text

Computing, Computer Science, Molecular Biology +13

Graph Attention Networks

Guillem Cucurull, Arantxa Casanova, Adriana Romero et al. · arXiv (Cornell University) · 2017 · 8.3K citations · Full text

Computing, Computer Science, Feature Engineering +16