Veniamin Yu. Grigor'ev

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A development of the Arithmetic Mean Toxicity (AMT) approach is presented in this article. Twenty six physicochemical descriptors, calculated by using the HYBOT program, along with molecular weight and lipophilicity were included in the selection of structural and physicochemical neighbours (analogues). Toxicity predictions of 906 chemicals from the REACH(More)
The importance of six theoretically calculated molecular parameters in the antigibberellin (retardant) activity of quaternary ammonium salts is studied using a regression analysis. A bioassay system based on cell culture of fungus Gibberella fujikuroi is used to determine the activity. In the case of N,N,N-trimethyl-N-(2-hydroxyethyl)ammonium chloride(More)
The lipophilicity of chemical compounds is a very important physicochemical parameter involved in virtually all investigations of the toxicity and pharmacokinetics of various substances [1]. For example, the logarithm of the distribution coefficient of components in the octanolwater system is a descriptor most frequently used for establishing the(More)
The manifestation of physiological activity is possible only in the case of electronic and steric conformity between the substance and the receptor. At present the available information regarding the structures of many biological targets is still extremely limited. The structural commonality of compounds that give rise to the same form of biological(More)
Solubilities of crystalline organic compounds calculated according to AMP (arithmetic mean property) and LoReP (local one-parameter regression) models based on structural and physicochemical similarities are presented. We used data on water solubility of 2615 compounds in un-ionized form measured at 25±5 °C. The calculation results were compared with the(More)
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