Structure-activity relationship study of steroidal 1,2,4,5-tetraoxane animalarials using computational procedures
نویسندگان
چکیده
منابع مشابه
A computational quantitative structure-activity relationship study of carbamate anticonvulsants using quantum pharmacological methods
A pattern recognition quantitative structure-activity relationship (QSAR) study has been performed to determine the molecular features of carbamate anticonvulsants which influence biological activity. Although carbamates, such as felbamate, have been used to treat epilepsy, their mechanisms of efficacy and toxicity are not completely understood. Quantum and classical mechanics calculations have...
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Structure-activity relationship (SAR) analysis of small bioactive compounds is a key task in medicinal chemistry. Traditionally, SARs were established on a case-by-case basis. However, with the arrival of high-throughput screening (HTS) and synthesis techniques, a surge in the size and structural heterogeneity of compound data is seen and the use of computational methods to analyse SARs has bec...
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In this paper, the quantitative structure activity-relationship (QSAR) of the CCR2b receptor inhibitors was scrutinized. Firstly, the molecular descriptors were calculated using the Dragon package. Then, the stepwise multiple linear regressions (SW-MLR) and the genetic algorithm multiple linear regressions (GA-MLR) variable selection methods were subsequently employed to select and implement th...
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ژورنال
عنوان ژورنال: Journal of the Serbian Chemical Society
سال: 2005
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc0503329b