the quantitative structure–property relationship (qspr) method is used to develop the correlation between structures of crude oil hydrocarbons (80 compounds) and their boiling point and water solubility. sub-structural molecular fragments (smf) calculated from structure alone were used to represent molecular structures. a subset of the calculated fragments selected using stepwise regression (fo...

the quantitative structure-property relationship (qspr) method is used to develop the correlation between structures of refrigerants (198 compounds) and their critical temperature. molecular descriptors calculated from structure alone were used to represent molecular structures. a subset of the calculated descriptors selected using a genetic algorithm (ga) was used in the qspr model development...

the study was carried out to develop an efficient approach for prediction the genotoxicity of carbon nanotubes. the experimental data on the bacterial reverse mutation test (ta100) on multi-walled carbon nanotubes (mwcnts) was collected from the literature and examined as an endpoint. by means of the optimal descriptors calculated with the monte carlo method a mathematical model of the endpoint...

Luciferase enzymes are involved in the bioluminescence reaction (light emission by living organisms). The bioluminescence process is a widespread phenomenon in the Nature. These enzymes are identified in some domains of life, but the luciferases from lampyrid genus are considered of for biological applications. The molecular cloning of a new type of firefly luciferase from Luciola lateralis was...