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Overview/Features
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Overview
  Strike: Powerful software for statistical modeling and QSAR
Strike (Statistical tool for revealing insight and knowledge) is a statistical modeling package designed especially for chemists. An easy-to-use interface and wide variety of property prediction tools combine to make Strike a powerful tool for developing structure-activity relationships.


The Advantages of QSAR and Statistical Modeling

The preparation of hit-rich virtual libraries can be a time-consuming and challenging process. Incorrect characterization of drug-like properties will result in low HTS payoffs, with fewer, less promising hits. While scores of 2D and 3D descriptors can be rapidly calculated or predicted, these properties are of limited use unless they are correlated with drug action. Furthermore, in order to protect against over-fitting, any predictive relationship must use only a reasonable subset of descriptors with minimal covariance.

Quantitative structure-activity relationships (QSAR) and statistical modeling can be used to develop such predictive relationships, greatly improving the profile of virtual libraries. Chemically aware statistical modeling software combines sophisticated analysis tools with the ability to easily visualize the structures and properties used to derive a structure-activity relationship. QSAR is one of the most mature techniques in rational drug design, and has repeatedly proven itself to be a low-cost, high-return investment.

Strike is a chemically aware statistical modeling package that allows researchers to simultaneously visualize molecular structures and predictive relationships. A training set ligand is shown here alongside a scatter plot of predicted versus measured aqueous solubility.
Strike is a chemically aware statistical modeling package that allows researchers to simultaneously visualize molecular structures and predictive relationships. A training set ligand is shown here alongside a scatter plot of predicted versus measured aqueous solubility.
   Features
 
Versatile data management: Strike exploits Maestro's project management capabilities to support molecular property and descriptor import from spreadsheets, structure files, and other Schrodinger programs. The results of Strike predictions are automatically associated with structures and are easily manipulated using Maestro's project facility.
Validated QSAR: Strike allows for rapid hypothesis building and evaluation. Using a collection of chemical structures and associated properties, Strike applies one of several regression methods to derive a QSAR and return statistical measures of its accuracy and significance.
Prediction tools: Once a satisfactory hypothesis has been obtained, Strike can quickly use this hypothesis to predict activities or drug likeness of large virtual libraries.
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