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Showing 1–6 of 6 results
Advanced filters: Author: Lanqing Hong Clear advanced filters

  • AI models for drug discovery often struggle with real-world, incomplete data. Here, the authors present OmniMol, a framework using hypergraphs to improve predictions of molecular properties, addressing challenges of imperfect data annotation and enhancing model explainability.

    • Bowen Wang
    • Junyou Li
    • Pheng Ann Heng
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-18

  • Despite recent progress, machine learning methods remain inadequate in modeling the natural protein-protein interaction (PPI) hierarchy for PPI prediction. Here, the authors present a double-viewed hierarchical graph learning model, HIGH-PPI, to predict PPIs and extrapolate the molecular details involved.

    • Ziqi Gao
    • Chenran Jiang
    • Jia Li
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-12

  • Effective urban water management requires technological solutions that enable system-wide gains via a holistic approach. Here, authors propose an integrated system where an iron-oxidising electrochemical cell upgrades biogas while producing FeCO3 and subsequently uses the salt in wastewater treatment.

    • Zhetai Hu
    • Lanqing Li
    • Zhiguo Yuan
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-12

  • A multi-objective molecule generation method with Pareto MCTS as searching procedure in chemical space and the pretrained molecule generative model conditioned on protein targets as searching guidance to synchronously optimize multiple properties.

    • Yaodong Yang
    • Guangyong Chen
    • Pheng-Ann Heng
    ResearchOpen Access
    Communications Biology
    Volume: 7, P: 1-15

  • An approach to boost the power conversion efficiencies (PCEs) of ferroelectric photovoltaics (PVs) is proposed based on the Schottky barrier effect. This approach leverages the thinning of a ferroelectric film to somewhere close to the depletion width, which can simultaneously suppress the recombination and lower the series resistance. Using this approach, we achieve a PCE up to 2.49% (under 365-nm ultraviolet illumination) in the 12-nm Pb(Zr0.2Ti0.8)O3 ultrathin films. Our study provides insightful guidance on how to design and tailor the ferroelectric films to achieve high PCEs, and also demonstrates the great potential of ferroelectrics for use in ultrathin-film PV devices.

    • Zhengwei Tan
    • Lanqing Hong
    • Jun-Ming Liu
    ResearchOpen Access
    NPG Asia Materials
    Volume: 11, P: 1-13