Here, the authors disclose the structure-reactivity relationship and a regioselectivity predicting model based on in situ IR technology, DFT calculations and machine leaning algorithms.

Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target & Clinical Pharmacology, the NMPA and State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences, ...

Microbiology is the study of bacteria, fungi, algae, protozoa and viruses, and is of immense importance in relation to the environment, agriculture and food, biomedical sciences and biotechnology.

College of Chemistry and Chemical Engineering, Zhoukou Normal University, Zhoukou, Henan 466001, P. R. China ...