Accelerating the discovery of N-annulated perylene organic sensitizers via an interpretable machine learning model

Y Zhang, Z Zheng, F Chen, M Li, P Ding… - Journal of Molecular …, 2024 - Elsevier
A data-driven strategy was proposed by combining machine learning (ML) model and first-
principles verification to rapidly quarry efficient and synthesizable candidate organic …

Density Functional Theory Study on Chemical Reactivity of Aspirin: Substituent Effect

HT Mohammed, AM Kamil, A Abbas… - Baghdad Science …, 2024 - bsj.uobaghdad.edu.iq
There is strong evidence that thrombotic and inflammatory mechanisms play a role in COVID-
19 severity. COVID-19 morality may be reduced by common drugs that block these …