Review of advances in development of fluorescent BODIPY probes (chemosensors and chemodosimeters) for cation recognition
NA Bumagina, EV Antina - Coordination Chemistry Reviews, 2024 - Elsevier
Content assessment of metal ions (analytes) in solutions, industrial waters and natural
objects is one of the most important tasks in biochemistry, medicine, ecology and various …
objects is one of the most important tasks in biochemistry, medicine, ecology and various …
Challenges with Literature-Derived Data in Machine Learning for Yield Prediction: A Case Study on Pd-Catalyzed Carbonylation Reactions
DZ Li, XQ Gong - The Journal of Physical Chemistry A, 2024 - ACS Publications
The application of machine learning (ML) to predict reaction yields has shown remarkable
accuracy when based on high-throughput computational and experimental data. However …
accuracy when based on high-throughput computational and experimental data. However …
Machine Learned Potential Enables Molecular Dynamics Simulation to Predict the Experimental Branching Ratios in the NO Release Channel of Nitroaromatic …
This study employs a machine learning (ML) model using the Gaussian process regression
algorithm to generate potential energy surfaces (PES) from density functional theory …
algorithm to generate potential energy surfaces (PES) from density functional theory …
Experimental investigation and prediction of chemical etching kinetics on mask glass using random forest machine learning
L Zhu, T Yang, S Li, F Yang, C Jiang, L ** a model for chemical etching kinetics is crucial for …