Predicting Surfactant Oil-Water Interfacial Tension Using Gated Message-Passing Graph Neural Networks. [PDF]
Liu S, Cui Y, Wang J, Xu H, Jiang H.
europepmc +1 more source
graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. [PDF]
Sil S, Maskeri MA, Scheidt KA.
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Vulnerability of fault-tolerant topological quantum error correction to quantum deviations in code space. [PDF]
Zhao Y, Liu DE.
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Semantic-enhanced heterogeneous graph learning for identifying ncRNAs associated with drug resistance. [PDF]
Wei H +5 more
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MoGraphDRP: Multi-omics and graph fusion with bilinear attention for predicting drug sensitivity. [PDF]
Ahmadi Z, Pirgazi J, Sorkhi AG.
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TeLLAgent: a dual-agent framework for reliable scientific discovery with tool-enhanced LLMs. [PDF]
Sun J +11 more
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Few-shot molecular property optimization <i>via</i> a domain-specialized large language model. [PDF]
Guo Y +8 more
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Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications. [PDF]
Zhou X, Tao W.
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Room Temperature Control of Axial and Basal Antiferromagnetic Anisotropies Using Strain. [PDF]
Harrison J +8 more
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