Literature DB >> 2541226

Pattern recognition display methods for the analysis of computed molecular properties.

B Hudson1, D J Livingstone, E Rahr.   

Abstract

Pattern recognition methods, particularly the 'unsupervised learning' techniques, are well suited for the preliminary analysis of the large data sets produced by computer chemistry. The use of linear and non-linear display methods for such exploratory analysis are exemplified with the aid of two data sets of biologically active molecules. Advantages and disadvantages of these techniques are discussed.

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Year:  1989        PMID： 2541226     DOI： 10.1007/bf01590995

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  5 in total

1.  Applications of computerized pattern recognition: a survey of correlations between pharmacological activities and mass spectra.

Authors:  H Abe; S Kumazawa; T Taji; S Sasaki
Journal:  Biomed Mass Spectrom       Date:  1976-08

2.  Physicochemical characteristics of non-electrolytes and their uptake by Brugia pahangi and Dipetalonema viteae.

Authors:  J P Court; R C Murgatroyd; D Livingstone; E Rahr
Journal:  Mol Biochem Parasitol       Date:  1988-01-15       Impact factor: 1.759

3.  Chance factors in studies of quantitative structure-activity relationships.

Authors:  J G Topliss; R P Edwards
Journal:  J Med Chem       Date:  1979-10       Impact factor: 7.446

4.  Perspectives in QSAR: computer chemistry and pattern recognition.

Authors:  R M Hyde; D J Livingstone
Journal:  J Comput Aided Mol Des       Date:  1988-07       Impact factor: 3.686

5.  Discriminant analysis of the relationship between physical properties and the inhibition of monoamine oxidase by aminotetralins and aminoindans.

Authors:  Y C Martin; J B Holland; C H Jarboe; N Plotnikoff
Journal:  J Med Chem       Date:  1974-04       Impact factor: 7.446
  5 in total
  5 in total

1.  Data modelling with neural networks: advantages and limitations.

Authors:  D J Livingstone; D T Manallack; I V Tetko
Journal:  J Comput Aided Mol Des       Date:  1997-03       Impact factor: 3.686

2.  Chiral chromatography and multivariate quantitative structure-property relationships of benzimidazole sulphoxides.

Authors:  P Camilleri; D J Livingstone; J A Murphy; D T Manallack
Journal:  J Comput Aided Mol Des       Date:  1993-02       Impact factor: 3.686

3.  Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA.

Authors:  B L Bush; R B Nachbar
Journal:  J Comput Aided Mol Des       Date:  1993-10       Impact factor: 3.686

4.  2D and 3D QSAR analysis of some valproic acid metabolites and analogues as anticonvulsant agents.

Authors:  T Netzeva; I Doytchinova; R Natcheva
Journal:  Pharm Res       Date:  2000-06       Impact factor: 4.200

5.  Design of anticancer agents utilizing streptozocin for in silico optimization of properties and pattern recognition identification of group features.

Authors:  Ronald Bartzatt
Journal:  Open Med Chem J       Date:  2008-09-02
  5 in total

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