An interpretable geometric graph neural network for enhancing the generalizability of drug-target interaction prediction. [PDF]
BMC BiolXiong A +8 more
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PolyT-GNN: A Graph Neural Network Framework for Data-Driven Discovery of High-Temperature Two-Way Shape Memory Polymers. [PDF]
ACS Appl Mater InterfacesTeimouri A, Mu X, Li G.
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Martinize2 and Vermouth provide a unified framework for molecular topology generation. [PDF]
ElifeKroon PC +7 more
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Finding maximum common contractions between phylogenetic networks. [PDF]
Algorithms Mol BiolMarchand B +4 more
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Exploring Neurofunctional Phase Transition Patterns in Autism Spectrum Disorder via Thermodynamics Parameters. [PDF]
Entropy (Basel)Qin D, Chen Y, Kuruoglu EE.
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KG-bench: benchmarking graph neural network algorithms for drug repurposing. [PDF]
BioinformaticsWei S +5 more
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Enhancing Local Functional Structure Features to Improve Drug-Target Interaction Prediction. [PDF]
Int J Mol SciFeng B, Du H, Tong HHY, Wang X, Li K.
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MoltiTox: a multimodal fusion model for molecular toxicity prediction. [PDF]
Front ToxicolPark J, Lee S.
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A dual-branch graph neural network architecture for drug-target binding affinity prediction. [PDF]
Sci RepAbbas K +8 more
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Two-Dimensional Latent Space Manifold of Brain Connectomes Across the Spectrum of Clinical Cognitive Decline. [PDF]
Bioengineering (Basel)Bayır G +6 more
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