Results 191 to 200 of about 23,770 (308)

ATD: Augmenting CP Tensor Decomposition by Self Supervision. [PDF]

open access: yesAdv Neural Inf Process Syst, 2022
Yang C   +6 more
europepmc   +1 more source

Reverse Weak Polarity‐Induced Ordered Layer Control for Enhanced Second‐Harmonic Generation in Ultraviolet Nonlinear Optical Crystals

open access: yesAdvanced Science, EarlyView.
Reverse Weak Polarity‐Induced Ordered Layer Control strategy, optimizing the design of layered structures, has been successfully designed. By leveraging inhomogeneous field of units to replace isotropic fields of metal cations, polar layers realize controllable layer stacking via a “layer→linker→layer” polarity transfer.
Lingli Wu   +7 more
wiley   +1 more source

Enhancing Biogenic Formic Acid Production in the Modified OxFA Process by Acetonitrile Addition

open access: yesAdvanced Science, EarlyView.
In this study, the beneficial effect of using acetonitrile as a co‐solvent in the modified OxFA process is shown, outperforming methanol, demonstrating improved reaction kinetics combined with high selectivity for the HPA‐2 (H5PV2Mo10O40) catalyzed oxidation of xylose to FA.
Jan‐Dominik H. Krueger   +7 more
wiley   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

open access: yesAdvanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang   +8 more
wiley   +1 more source

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