| MoleculeNet: a benchmark for molecular machine learning |
136 |
| Fluorescent probes for organelle-targeted bioactive species imaging |
104 |
| Mechanochemistry as an emerging tool for molecular synthesis: what can it offer? |
97 |
| High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(III) metallocenium single-molecule magnets |
88 |
| Recent advances in near-infrared II fluorophores for multifunctional biomedical imaging |
87 |
| Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency |
86 |
| Trends in activity for the oxygen evolution reaction on transition metal (M = Fe, Co, Ni) phosphide precatalysts |
85 |
| Improving MOF stability: approaches and applications |
75 |
| The hydrogen evolution reaction: from material to interfacial descriptors |
73 |
| Doping strategies for small molecule organic hole-transport materials: impacts on perovskite solar cell performance and stability |
69 |
| Rational design of a water-soluble NIR AIEgen, and its application in ultrafast wash-free cellular imaging and photodynamic cancer cell ablation |
67 |
| Pore-tuning to boost the electrocatalytic activity of polymeric micelle-templated mesoporous Pd nanoparticles |
66 |
| A graph-convolutional neural network model for the prediction of chemical reactivity |
65 |
| Polariton chemistry: controlling molecular dynamics with optical cavities |
62 |
| Carved nanoframes of cobalt-iron bimetal phosphide as a bifunctional electrocatalyst for efficient overall water splitting |
61 |
| Advances in targeting the folate receptor in the treatment/imaging of cancers |
60 |
| Facile synthesis of 1D organic-inorganic perovskite micro-belts with high water stability for sensing and photonic applications |
58 |
| The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics |
57 |
| Boosting the circularly polarized luminescence of small organic molecules via multi-dimensional morphology control |
54 |
| Large-scale comparison of machine learning methods for drug target prediction on ChEMBL |
53 |
| ROS scavenging Mn3O4 nanozymes for in vivo anti-inflammation |
52 |
| Extraction of nickel from NiFe-LDH into Ni2P@NiFe hydroxide as a bifunctional electrocatalyst for efficient overall water splitting |
52 |
| Novel near-infrared II aggregation-induced emission dots for in vivo bioimaging |
50 |
| Electronic modulation of transition metal phosphide via doping as efficient and pH-universal electrocatalysts for hydrogen evolution reaction |
49 |
| Proton transfer in hydrogen-bonded degenerate systems of water and ammonia in metal-organic frameworks |
48 |
| A durable monolithic polymer foam for efficient solar steam generation |
46 |
| Efficiency vs. stability: dopant-free hole transporting materials towards stabilized perovskite solar cells |
46 |
| Blue light-promoted photolysis of aryldiazoacetates |
44 |
| Biomedical applications of copper-free click chemistry: in vitro, in vivo, and ex vivo |
43 |
| Nickel-catalyzed difunctionalization of allyl moieties using organoboronic acids and halides with divergent regioselectivities |
43 |
| Dual-targeting biomimetic delivery for anti-glioma activity via remodeling the tumor microenvironment and directing macrophagemediated immunotherapy |
42 |
| Toward ideal carbon dioxide functionalization |
41 |
| Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations |
41 |
| Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(II) photosensitizer through type I photochemical process |
40 |
| Upconversion-mediated ZnFe2O4 nanoplatform for NIR-enhanced chemodynamic and photodynamic therapy |
40 |
| Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective |
39 |
| Covalent triazine framework modified with coordinatively-unsaturated Co or Ni atoms for CO2 electrochemical reduction |
39 |
| sp(3) C-H activation via exo-type directing groups |
39 |
| Direct evidence of charge separation in a metal-organic framework: efficient and selective photocatalytic oxidative coupling of amines via charge and energy transfer |
39 |
| Deformylation reaction-based probe for in vivo imaging of HOCl |
38 |
| Machine learning meets volcano plots: computational discovery of cross-coupling catalysts |
38 |
| Found in Translation: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models |
38 |
| Penetration depth tunable BODIPY derivatives for pH triggered enhanced photothermal/ photodynamic synergistic therapy |
38 |
| Surface reconstruction of cobalt phosphide nanosheets by electrochemical activation for enhanced hydrogen evolution in alkaline solution |
38 |
| Topology and porosity control of metal-organic frameworks through linker functionalization |
37 |
| An enzyme-activatable probe liberating AIEgens: on-site sensing and long-term tracking of -galactosidase in ovarian cancer cells |
36 |
| Positional effects of second-sphere amide pendants on electrochemical CO2 reduction catalyzed by iron porphyrins |
36 |
| Stabilizing nickel-rich layered oxide cathodes by magnesium doping for rechargeable lithium-ion batteries |
36 |
| An ultrasensitive polydopamine bi-functionalized SERS immunoassay for exosome-based diagnosis and classification of pancreatic cancer |
36 |
| Efficient solar cells sensitized by a promising new type of porphyrin: dye-aggregation suppressed by double strapping |
35 |
