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Statistical Molecular Design of Building Blocks for Combinatorial Chemistry
Journal of Medicinal Chemistry, 2000The reduction of the size of a combinatorial library can be made in two ways, either base the selection on the building blocks (BB's) or base it on the full set of virtually constructed products. In this paper we have investigated the effects of applying statistical designs to BB sets compared to selections based on the final products.
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General Block Designs and Their Statistical Properties
2000According to one of the basic principles of experimental design, the randomiza-tion principle (see Section 1.1), the experimental units (plots) are to be random-ized before they enter the experiment. Suppose that to apply a general block design, in the sense of Section 2.2, randomization is performed as described by Nelder (1954), i.e., by randomly ...
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