Selection of the Most Prospective Compounds

A fundamental limitation must be kept in mind any observation, estimation or calculation has only restricted accuracy. In absolutely all cases instead of the desirable unknown intrinsic Real value we have only  

Since the predicted with PASS biological activity spectra contain the estimates of probabilities for the pharmacological main and side effects, molecular mechanisms of action and specific toxicity, the choice of the most prospective compounds from the available samples of chemical compounds can be realized on the basis of complex criteria. Both the presence of targeted biological effects 

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Vapnik, Estimation of Dependences Based on Empirical Data, Springer-Verlag, New York, 1982. 

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