General chemistry
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- Contrastive Reward Based Reinforcement Learning for Goal Directed 3D Molecular Design
- Reliable Machine Learning for DPPH Antioxidant QSAR: Scaffold- and Study-Aware Validation with an Out-of-Domain Sulfonamide-Tyr-Gly Case Study
- Conformal Prediction and Multi-Ensemble Gradient Boosting for Subtype-Selective Binding Affinity Estimation Across Human Adenosine Receptors
- Performance of Highly Coarse-Grained Chain Models with Extremal Measures for a Configuration-Dependent Hydrodynamic Diameter in Rheological Flow Fields
- Effects due to the solvent density distribution on the dynamics of polymer coils in solution under rheological flow fields
- Olympic-patterned pentaboron emitter featuring highly distorted geometry enables efficient solution-processed ultrapure green OLEDs
- Plasma Protein Binding Prediction under Scaffold Split: Tree Models, ChemBERTa, Graph Networks, and Late Fusion
- Novel floating ZnO/alumina foam photocatalyst: a realistic approach for sustainable dye degradation in wastewater
- Improvement of the Efficiency of Organic Solar Cells Using the Terthiophene-Pyran-Malononitrile (T3PM) as Electron Donor, through the use of a MoO3/CuI Anode Buffer Layer
- Energy-level alignment of vacancy-ordered halide double perovskites
- Feasibility Study of the Synthesis of Isocyanate-Free Polyurethanes from Catechin
- One Step Regioselective Acylation of Polyphenolic Wood Extractive and Its Application for Wood Treatment
- Molarium: Agent-Generated Adaptive Software for Molecular Design
- Trophic Transfer–Driven Predator Risk from Diatomite Nanoparticles Is Mitigated by a dsRNA Safety Switch
- A Zero-Shot Single-Point Chemical Language Model Mimics Medicinal Chemist Reasoning for Molecular Optimization and STING Inhibitor Development in Alzheimer’s Disease
- Chainable DataFrame Framework for Interactive Chemical Data Processing with pdChemChain
- Solid-State Host–Guest Chemistry of Cyanoborate-Bridged Cubane-Type Tetranuclear Ruthenium Complexes: Solvate Crystal Formation and Reversible Sorption of Volatile Organic Compounds
- Symmetry Breaking Drives Twisted Prismatic Evolution in Atomically Precise Copper Nanoclusters
- Accelerated characterization of active natural extracts with single-step microfractionation coupled to mass spectrometry and bioassays
- Dynamic vacancy redistribution shifts Pd nanoparticle coalescence from orientation-gated to defect-enabled on reduced CeO2(110)
- MARS-RNA: An Automated Pipeline for Correlating RNA Molecular Dynamics Trajectories with Chemical Probing Data
- A trace-hierarchy theorem for shared splittings in coupled spin-½ NMR spectra
- Engineering Receptor-Mediated Cell-Surface Mobility with Phage-Inspired DNA Tetrapods
- Scaffold-Controlled Evaluation of Molecular Representations for Antimalarial Activity Prediction
- InGaAs/InAlAs Avalanche Photodiodes: Recent Advances in Growth, Device Structure, Noise Performance, and Emerging Applications