Aleck Sedykh

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Remote loading of liposomes by trans-membrane gradients is used to achieve therapeutically efficacious intra-liposome concentrations of drugs. We have developed Quantitative Structure Property Relationship (QSPR) models of remote liposome loading for a data set including 60 drugs studied in 366 loading experiments internally or elsewhere. Both experimental(More)
An alternate representation of the biodegradation of chemicals (biochemical oxygen demand (BOD) amount instead of BOD-based degradation percentage) allows the derivation of an improved QSAR model. The structural descriptors for this model are related to biodegradation mechanisms. A linear group contribution model of 99 variables was derived from a training(More)
Mathematical models of apoptosis and necrosis in in vitro cultured cells for different ways of indication of phenotypical manifestations of these processes are proposed. The models make it possible to calculate the probability of apoptosis and necrosis programming of cells, to appraise and compare intensities of these processes using experimental data.
Our goal was to create a photodegradation model based on the META expert system [G. Klopman, M. Dimayuga, J. Talafous, J. Chem. Inf. Comput. Sci. 34 (1994a) 1320-1325]. This requires the development of a dictionary of photodegradation pathways. Equipped with such a dictionary, we found that META successfully predicts degradation pathways of organic(More)
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