Heterogeneous networks in drug-target interaction prediction
원문 초록
Drug discovery requires a tremendous amount of time and cost. Computational drug-target interaction prediction, a significant part of this process, can reduce these requirements by narrowing the search space for wet lab experiments. In this survey, we provide comprehensive details of graph machine learning-based methods in predicting drug-target interaction, as they have shown promising results in this field. These details include the overall framework, main contribution, datasets, and their source codes. The selected papers were mainly published from 2020 to 2024. Prior to discussing papers, we briefly introduce the datasets commonly used with these methods and measurements to assess their performance. Finally, future challenges and some crucial areas that need to be explored are discussed.
함께 살펴볼 논문
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MTPNet: Multi-Grained Target Perception for Unified Activity Cliff Prediction
STELLA: Towards Protein Function Prediction with Multimodal LLMs Integrating Sequence-Structure Representations
AUTOCT: Automating Interpretable Clinical Trial Prediction with LLM Agents
Conformal Prediction for Uncertainty Estimation in Drug-Target Interaction Prediction
B-XAIC Dataset: Benchmarking Explainable AI for Graph Neural Networks Using Chemical Data
Assay2Mol: large language model-based drug design using BioAssay context
토론
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