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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Annals of the Institute of Statistical Mathematics 46 (1994), S. 649-666 
    ISSN: 1572-9052
    Keywords: Asymptotic expansions ; index notation ; invariant Taylor series expansions ; likelihood ; tensors ; yokes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract Stochastic expansions of likelihood quantities are a basic tool for asymptotic inference. The traditional derivation is through ordinary Taylor expansions, rearranging terms according to their asymptotic order. The resulting expansions are called hereexpected/observed, being expressed in terms of the score vector, the expected information matrix, log likelihood derivatives and their joint moments. Though very convenient for many statistical purposes, expected/observed expansions are not usually written in tensorial form. Recently, within a differential geometric approach to asymptotic statistical calculations, invariant Taylor expansions based on likelihood yokes have been introduced. The resulting formulae are invariant, but the quantities involved are in some respects less convenient for statistical purposes. The aim of this paper is to show that, through an invariant Taylor expansion of the coordinates related to the expected likelihood yoke, expected/observed expansions up to the fourth asymptotic order may be re-obtained from invariant Taylor expansions. This derivation producesinvariant expected/observed expansions.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer aided molecular design 5 (1991), S. 617-628 
    ISSN: 1573-4951
    Keywords: Artificial Intelligence ; Structure-activity relationship ; Thermolysin inhibitors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Preliminary results of a machine learning application concerning computer-aided molecular design applied to drug discovery are presented. The artificial intelligence techniques of machine learning use a sample of active and inactive compounds, which is viewed as a set of positive and negative examples, to allow the induction of a molecular model characterizing the interaction between the compounds and a target molecule. The algorithm is based on a twofold phase. In the first one — the specialization step — the program identifies a number of active/inactive pairs of compounds which appear to be the most useful in order to make the learning process as effective as possible and generates a dictionary of molecular fragments, deemed to be responsible for the activity of the compounds. In the second phase — the generalization step — the fragments thus generated are combined and generalized in order to select the most plausible hypothesis with respect to the sample of compounds. A knowledge base concerning physical and chemical properties is utilized during the inductive process.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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