quantitative structure--activity relationships

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quantitative structure–-activity relationships



The relationships between the geometric structure of a chemical compound and its pharmacological activity.
References in periodicals archive ?
For the QSAR analysis the predicted lipophilic properties (logP --octanol-water partition coefficient) of the seven alkamides studied were plotted against the experimental antifungal activity values (log 1/C, where C is the alkamide concentration that results in a 40% growth inhibition; Table 2).
The best QSAR model with the parameter could be expressed by the equation:
Establishing a connection between biological effects and structural and/or physicochemical properties of chemicals is the task of quantitative structure-activity relationship or QSAR modeling.
China Sunergy commenced the commercial production of QSAR modules in October 2011.
Frankel trains Qsar for the Eddie Read and Intercontinental for Saturday's $400,000 John C.
Few of them, however, could possibly be a sumptuous as the Madinat Jumeirah, made up of three properties, the Al Qsar, Mina A'Salam and Malakiya Villas.
Gestut Fahrhof paid e170,000 (pounds 115,410) for a Monsun filly out of Qelle Amie, whose first foal, Qsar, had won a Listed race at Baden-Baden the previous day.
A method for sampling combinatorial chemistry library space, Sar Qsar Environ.
The team were delivering a boat from the southern Iraqi port of Umm Qsar to Basra when the incident happened.
The stop and search had taken place while British troops from a host of different regiments were being transported to the port of Um Qsar, on the border with Kuwait, to collect 32 Land Rovers that had been shipped in from Britain.
The very responsive graphics and computational power of this combination has allowed me to fully analyze close to a thousand molecules in three dimensions -- including docking to protein binding sites and the creation of predictive QSAR models -- in less than a year.
Our tools for QSAR, ADME and virtual screening, combined with the kind of computational power available in this new architecture, will allow our customers to perform virtual experiments and analysis unthinkable just several years ago.