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Full-Text Articles in Physical Sciences and Mathematics
Singlet Oxygen Generation By Porphyrins And Metalloporphyrins Revisited: A Quantitative Structure-Property Relationship (Qspr) Study, Andrey A. Buglak, Mikhail Filatov, Althaf M. Hussain, Manabu Sugimoto
Singlet Oxygen Generation By Porphyrins And Metalloporphyrins Revisited: A Quantitative Structure-Property Relationship (Qspr) Study, Andrey A. Buglak, Mikhail Filatov, Althaf M. Hussain, Manabu Sugimoto
Books/Book chapters
state followed by formation of singlet oxygen (1O2), which is a highly reactive species and mediates various oxidative processes. The design of advanced sensitizers based on porphyrin compounds have attracted significant attention in recent years. However, it is still difficult to predict the efficiency of singlet oxygen generation for a given structure. Our goal was to develop a quantitative structure-property relationship (QSPR) model for the fast virtual screening and prediction of singlet oxygen quantum yields for pophyrins and metalloporphyrins. We performed QSPR analysis of a dataset containing 32 compounds, including various porphyrins and their analogues (chlorins and bacteriochlorins). Quantum-chemical descriptors …
Modulation Of Medical Condition Likelihood By Patient History Similarity, Jonathan Turner, Dympna O'Sullivan, Jon Bird
Modulation Of Medical Condition Likelihood By Patient History Similarity, Jonathan Turner, Dympna O'Sullivan, Jon Bird
Articles
Introduction: We describe an analysis that modulates the simple population prevalence derived likelihood of a particular condition occurring in an individual by matching the individual with other individuals with similar clinical histories and determining the prevalence of the condition within the matched group.
Methods: We have taken clinical event codes and dates from anonymised longitudinal primary care records for 25,979 patients with 749,053 recorded clinical events. Using a nearest neighbour approach, for each patient, the likelihood of a condition occurring was adjusted from the population prevalence to the prevalence of the condition within those patients with the closest …