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Merging of statistical and molecular

Topics which arc covered in this overview include the role of the computational chemist in the design of new pharmaceutical and agricultural agents, along with descriptions of current trends in the field. Particular emphasis is placed on minicomputer graphics workstations, 3D stractural databases, and the merging of statistical and molecular modeling techniques to predict activity and mechanism. [Pg.26]

The merging of statistical and molecular modeling techniques is a welcome trend. Over the years, two quite separate camps have emerged among CAMD researchers - the statistical modellers and the molecular m ellers. As more examples of combined techniques appear in the literature, these separate groups should become more united again, and begin to appreciate the value of each other s approaches. [Pg.35]


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Merging

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