Mingchen Xie
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View article: MoleProLink-RL: geometric transport for domain-policy reinforcement learning in drug-target interaction prediction
MoleProLink-RL: geometric transport for domain-policy reinforcement learning in drug-target interaction prediction Open
Accurate drug-target interaction (DTI) prediction is vital to modern discovery workflows, yet models trained in one setting often underperform when chemotypes, protein families, or assay conditions shift. MoleProLink-RL addresses this chal…
View article: Correlation of triglyceride-glucose index with the incidence and prognosis of hyperglycemic crises in critically ill patients with diabetes mellitus: a machine-learning-based multicenter retrospective cohort study
Correlation of triglyceride-glucose index with the incidence and prognosis of hyperglycemic crises in critically ill patients with diabetes mellitus: a machine-learning-based multicenter retrospective cohort study Open
Background Hyperglycemic crisis events (HCEs)—encompassing diabetic ketoacidosis (DKA) and hyperosmolar hyperglycemic state (HHS)—constitute lethal determinants for patients with diabetic mellitus (DM) in intensive care. The triglyceride-g…
View article: Enhancing Uncertainty Modeling with Semantic Graph for Hallucination Detection
Enhancing Uncertainty Modeling with Semantic Graph for Hallucination Detection Open
Large Language Models (LLMs) are prone to hallucination with non-factual or unfaithful statements, which undermines the applications in real-world scenarios. Recent researches focus on uncertainty-based hallucination detection, which utili…
View article: Synergistic Halogen‐Bonding Passivation and Carboxylic Acid Anchoring in Carbazole‐Based Hole‐Transport Materials Enhance Performance and Stability of p–i–n Perovskite Solar Cells
Synergistic Halogen‐Bonding Passivation and Carboxylic Acid Anchoring in Carbazole‐Based Hole‐Transport Materials Enhance Performance and Stability of p–i–n Perovskite Solar Cells Open
Interfaces pose significant challenges to the performance and stability of perovskite solar cells (PSCs), as defects and weak interactions at these boundaries can lead to energy losses and degradation. To address these issues, it is crucia…
View article: Enhancing Uncertainty Modeling with Semantic Graph for Hallucination Detection
Enhancing Uncertainty Modeling with Semantic Graph for Hallucination Detection Open
Large Language Models (LLMs) are prone to hallucination with non-factual or unfaithful statements, which undermines the applications in real-world scenarios. Recent researches focus on uncertainty-based hallucination detection, which utili…
View article: Solar Azo‐Switches for Effective <i>E</i>→<i>Z</i> Photoisomerization by Sunlight
Solar Azo‐Switches for Effective <i>E</i>→<i>Z</i> Photoisomerization by Sunlight Open
Natural photoactive systems have evolved to harness broad‐spectrum light from solar radiation for critical functions such as light perception and photosynthetic energy conversion. Molecular photoswitches, which undergo structural changes u…
View article: Solar Azo‐Switches for Effective <i>E</i>→<i>Z</i> Photoisomerization by Sunlight
Solar Azo‐Switches for Effective <i>E</i>→<i>Z</i> Photoisomerization by Sunlight Open
Natural photoactive systems have evolved to harness broad‐spectrum light from solar radiation for critical functions such as light perception and photosynthetic energy conversion. Molecular photoswitches, which undergo structural changes u…
View article: Development and validation of radiomics models for the prediction of diagnosis of classic trigeminal neuralgia
Development and validation of radiomics models for the prediction of diagnosis of classic trigeminal neuralgia Open
The study aims to develop a magnetic resonance imaging (MRI)-based radiomics model for the diagnosis of classic trigeminal neuralgia (cTN). This study involved 350 patients with cTN and 100 control participants. MRI data were collected ret…
View article: Systematic pan-cancer analysis identifies SLC35C1 as an immunological and prognostic biomarker
Systematic pan-cancer analysis identifies SLC35C1 as an immunological and prognostic biomarker Open
GDP-amylose transporter protein 1 (SLC35C1) plays an important role in many types of cancer. Therefore, it is clinically important to further investigate the expression profile of SLC35C1 in human tumors to provide new molecular clues for …
View article: Solvent-assisted conformational interconversion of an organic semiconductor with multiple non-covalent interactions
Solvent-assisted conformational interconversion of an organic semiconductor with multiple non-covalent interactions Open
Summary: The conformational isomerism originated from the rotation of single bonds significantly affects the properties of conjugated molecules. However, the relatively low energy barrier of the rotation of single bonds often renders a dyn…
View article: CCDC 2063212: Experimental Crystal Structure Determination
CCDC 2063212: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2063211: Experimental Crystal Structure Determination
CCDC 2063211: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2063208: Experimental Crystal Structure Determination
CCDC 2063208: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2063209: Experimental Crystal Structure Determination
CCDC 2063209: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2063210: Experimental Crystal Structure Determination
CCDC 2063210: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2063213: Experimental Crystal Structure Determination
CCDC 2063213: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years
Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years Open
Azobenzenes are classical molecular photoswitches that have received widespread application. In recent endeavors of molecular design, replacing one or both phenyl rings by heteroaromatic ones is emerging as a strategy to expand the molecul…
View article: Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years
Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years Open
Azobenzenes are one of the most attractive class of molecular photoswitches. In recent endeavors of molecular design, replacing one or both phenyl rings by heteroaromatic ones is emerging as a strategy to expand the molecular diversity and…
View article: Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years
Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years Open
Azobenzenes are classical molecular photoswitches that have received widespread application. In recent endeavors of molecular design, replacing one or both phenyl rings by heteroaromatic ones is emerging as a strategy to expand the molecul…
View article: CCDC 1835660: Experimental Crystal Structure Determination
CCDC 1835660: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1835656: Experimental Crystal Structure Determination
CCDC 1835656: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Highly efficient sky blue electroluminescence from ligand-activated copper iodide clusters: Overcoming the limitations of cluster light-emitting diodes
Highly efficient sky blue electroluminescence from ligand-activated copper iodide clusters: Overcoming the limitations of cluster light-emitting diodes Open
A ligand activation strategy enables sky-blue cluster light-emitting diode with record 7000 nits brightness and ~8% efficiency.
View article: Allochroic thermally activated delayed fluorescence diodes through field-induced solvatochromic effect
Allochroic thermally activated delayed fluorescence diodes through field-induced solvatochromic effect Open
A novel thermally activated delayed fluorescence (TADF) allochroic diode can change emission color through adjusting voltage.
View article: CCDC 1571352: Experimental Crystal Structure Determination
CCDC 1571352: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …