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10 merged results for "Limits and Structures in Graph Theory"

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  1. Integrating graph attention networks and deep learning with multi-stage computational screening: Bisdemethoxycurcumin as a potent A₂A receptor inhibitor for Parkinson's disease.

    Otmanine K, Hammoudi M, Bendriss H, Feraoun B · 2026 · Bioorganic chemistry

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.bioorg.2026.110653

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  2. Generative design and computational characterization of pyrazoline-based EGFR kinase inhibitor candidates.

    Bhendarkar K, Khedekar P, Islam MA, Wanode D · 2026 · Journal of molecular graphics & modelling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.jmgm.2026.109631

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  3. Computational investigation of CO(2) activation on pristine and Al/Si-doped Ga(12)N(12) and Ga(12)P(12) nanoclusters.

    Thakur D, Mishra AK · 2026 · Journal of molecular graphics & modelling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.jmgm.2026.109646

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  4. Degree-biased diffusion geometry of networks. Implications for network neurosciences.

    Estrada E · 2026 · Mathematical biosciences

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1016/j.mbs.2026.109847

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  5. Quantum-Chemically Informed Representation Learning for Molecular Crystal Property Prediction via Multimodal Graph Neural Networks.

    Ihiri F, Garcia-Garibay MA, Alexandrova AN · 2026 · Journal of chemical information and modeling

    limited evidence Transparent signal score 43/100 · policy 1.0.0

    Found in pubmed · DOI 10.1021/acs.jcim.6c01012

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  6. RedoxDB and RedEx: closing the DFT-experiment domain gap in redox potential prediction with transfer learning.

    Doan DM, Song Q, Kucernak A, Jelfs KE · 2026 · Chemical science

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6sc05970h

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  7. Physics-based molecular fingerprints from spectral graph theory provide efficient geometry-aware measures of chemical similarity.

    Toney JW, Farnood AY, Darouich S, Kulik HJ · 2026 · Chemical science

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.1039/d6sc06309h

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  8. Structural and dynamic functional controllability: shared variance between network control metrics limits attribution to distinct domains of intelligence.

    Ng J, Feusner JD, Hawco C · 2026 · Frontiers in human neuroscience

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.3389/fnhum.2026.1920417

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
  9. Early Diagnostic Classification of Alzheimer's Disease Using Structural and Resting-State Functional MRI.

    Liu J, Zhu B, Yu M, Du S · 2026 · Neurology international

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.3390/neurolint18100191

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  10. Drugging the Undruggable in Oncology: Structural Computation, Machine Learning, and Generative AI for Historically Intractable Targets.

    Stańczak M, Niazi S · 2026 · Pharmaceuticals (Basel, Switzerland)

    limited evidence Transparent signal score 45/100 · policy 1.0.0

    Found in pubmed · DOI 10.3390/ph19101578

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    • cautionMetadata completeness: 5 of 6 scored descriptive metadata groups are present; missing fields increase uncertainty. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer