Taming the “Bad” Oxygen Researchers from the Freunberger group at the Institute of Science and Technology Austria (ISTA) have unveiled pivotal insights into the redox chemistry of oxygen and reactive oxygen species (ROS). Wh...

Taming the “Bad” Oxygen
From cell damage to empty batteries, ISTA chemists put singlet oxygen on a leash

Now published in @nature.com
Read more ista.ac.at/en/news/tami...

#redox #oxygen #singletoxygen #ros #reactiveoxygenspecies #batteries #batteryresearch #redoxchemistry #redoxbatteries

Predicting Reaction Rate Constant of Organic Compounds with Singlet Oxygen and Revealing Its Contributors Using Machine Learning Singlet oxygen (1O2), as an electrophilic reagent, is widely used for oxidative degradation of organic compounds (OCs). The 1O2 reaction rate constant (k) is an important index for evaluating the OCs ...

Zhu et al. (2025) used #alvaDesc to predict reactivity with singlet oxygen using interpretable ML (ET + SHAP).

🔗 Read the paper: pubs.acs.org/doi/10.1021/...
🧪 More on alvaDesc: alvascience.com/alvadesc/

#QSAR #ML #alvaDesc #Cheminformatics #SingletOxygen #EnvironmentalChemistry #chemsky

Predicting Reaction Rate Constant of Organic Compounds with Singlet Oxygen and Revealing Its Contributors Using Machine Learning Singlet oxygen (1O2), as an electrophilic reagent, is widely used for oxidative degradation of organic compounds (OCs). The 1O2 reaction rate constant (k) is an important index for evaluating the OCs ...

Zhu et al. (2025) used #alvaDesc to predict reactivity with singlet oxygen using interpretable ML (ET + SHAP).

🔗 Read the paper: pubs.acs.org/doi/10.1021/...
🧪 More on alvaDesc: alvascience.com/alvadesc/

#QSAR #ML #alvaDesc #Cheminformatics #SingletOxygen #EnvironmentalChemistry