AIMC Topic: Fluorine
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Enzymatic carbon-fluorine bond cleavage by human gut microbes.
Proceedings of the National Academy of Sciences of the United States of America
Jun 13, 2025
Fluorinated compounds are used for agrochemical, pharmaceutical, and numerous industrial applications, resulting in global contamination. In many molecules, fluorine is incorporated to enhance the half-life and improve bioavailability. Fluorinated co...
F-CPI: A Multimodal Deep Learning Approach for Predicting Compound Bioactivity Changes Induced by Fluorine Substitution.
Journal of medicinal chemistry
Dec 20, 2024
Fluorine (F) substitution is a common method of drug discovery and development. However, there are no accurate approaches available for predicting the bioactivity changes after F-substitution, as the effect of substitution on the interactions between...
Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks.
Physical chemistry chemical physics : PCCP
Jun 1, 2020
Chemical representations derived from deep learning are emerging as a powerful tool in areas such as drug discovery and materials innovation. Currently, this methodology has three major limitations - the cost of representation generation, risk of inh...
Simultaneous spatiotemporal tracking and oxygen sensing of transient implants in vivo using hot-spot MRI and machine learning.
Proceedings of the National Academy of Sciences of the United States of America
Feb 26, 2019
A varying oxygen environment is known to affect cellular function in disease as well as activity of various therapeutics. For transient structures, whether they are unconstrained therapeutic transplants, migrating cells during tumor metastasis, or ce...
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