General chemistry
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2,902 studies
- Surface-Aware Generative Design of Selective Inhibitors for Protein–Membrane Adsorption
- Beyond the Ligand Applicability Domain: Generalization and Local Resolution in Structure-Aware Foundation Models for Affinity Prediction
- Decoupling Dissolution from Water Oxidation at Single-Faceted High-Entropy Perovskite Electrodes
- Active-Space Selection in Nonadiabatic Dynamics Simulations of Dense Manifolds of Excited States: When Local Diabatization Needs Great Care
- Transition from Anisotropic to Isotropic Crystal Growth Enables Ultrahigh-Rate Zn Metal Anodes in Batteries
- Understanding the Dynamics of C-OH Bond Activation over Mo ₂ C under Hydrodeoxygenation Reaction Conditions
- Electrochemical Detection of Ethanol in Liquid Samples and Simulated Breath: Investigating Calibration, Selectivity, and Preconcentration
- Water-Responsive Shape-Memory Origami Enabled by a Washi–Bulk pNIPAAm Hydrogel Hybrid Sheet
- Beyond Organic Molecules: MetalLipoDB, a Lipophilicity Dataset for Metal Complexes and Machine Learning Benchmarks
- Machine Learning-Guided QSAR Modeling and Virtual Screening of Medicinal Plant-Derived Phytochemicals for the Identification of Potential hDHFR Inhibitors
- Active Noise Cancelling in Point-of-Care Testing
- Spatially Refined Analysis of Emission Burdens and Equity from Light-, Medium-, and Heavy-Duty Vehicle Traffic in the United States
- A Highly Proton-Tolerant Multicenter Borane/Phosphazene Catalytic System for Efficient PO/CO2 Copolymerization toward CO2-Based Poly(carbonate-ether) Polyols
- Molecular Docking and Molecular Dynamics Studies: Evaluation of the Potential Interaction between Ciprofloxacin-DAB-PAMAM Dendrimer-Based Prodrug Prototypes and Human Carboxylesterase 1
- Decoupling Sugar Availability and Metabolic Efficiency Reveals Bottlenecks in Ethanol Production from Lignocellulosic Hydrothermal Hydrolysates
- Experimental Study on Methane Explosion Suppression in Pipelines by Mixed Systems of Inert Gases (CO2/N2) and HFC-227ea
- Effect of Wood and Non-Wood Pulp Fiber Morphology on Laboratory-Simulated Tissue Paper Creping Performance: Functional Properties and Explainable AI
- Discovery of MYC/NSD3S Protein–Protein Interaction Negative Modulators with a Live Cell Nanoluciferase Protein-Fragment Complementation uHTS Assay
- Ab Initio Insights into the Interfacial Interactions of Emerging Two-Dimensional Nanomaterials with C-A-S-H Geopolymer Matrices
- Data-Driven Identification of GelMA Hydrogel Formulations with Bioink-Relevant Properties Using Design of Experiments (DoE) and Machine Learning (ML)
- Opening the black box: study of the multi-target anticancer mechanisms of Ecballium elaterium cucurbitacins via in vitro, network pharmacology, and molecular docking analyses.
- Forensic electrochemistry on a drop: bromocresol green-modified screen-printed platforms for dual colorimetric-electrochemical detection of scopolamine.
- Poly(bromocresol green) modified screen-printed carbon electrode for selective voltametric detection of uric acid.
- An in situ fabrication of chitosan-TiO₂ transparent nanocomposite films from an acid stabilized TiO₂ sol, and study on their photocatalytic efficiency.
- From reproducibility to comparability in computational photochemistry: lessons from the PhotoChem explorer prototype