This report describes development of an in silico, expert rule-based method for the classification of chemicals into irritants or non-irritants to eye, as defined by the Draize test. This method was developed to screen data-poor cosmetic ingredient c...
Despite the considerable number of in vivo and in vitro studies on the digestive fate of lipophilic nutrients, micronutrients, and bioactives, the effects of the structure and composition of foods on the physicochemical mechanisms of luminal digestio...
Environmental science and pollution research international
25779109
This research aimed at developing comprehensive assessments of physicochemical quality of groundwater for drinking and irrigation purposes at Dalcheon in Ulsan City, Korea. The mean concentration of major ions represented as follows: Ca (94.3 mg/L) >...
An in silico method for predicting percutaneous absorption of cosmetic ingredients was developed by using artificial neural network (ANN) analysis to predict the human skin permeability coefficient (log Kp), taking account of the physicochemical prop...
Journal of chemical information and modeling
26052622
The ionization state of drugs influences many pharmaceutical properties such as their solubility, permeability, and biological activity. It is therefore important to understand the structure property relationship for the acid-base dissociation consta...