Abstract
Seven hypotheses on relationships between the structure of naphthalene analogs and bioluminescence response of bioreporter Pseudomonas fluorescens were formulated using GUHA (General Unary Hypotheses Automaton) on a training set of 37 compounds. Prediction of bioluminescence response of 12 new naphthalene analogs was successful in 69 % cases and resulted in rejection of single hypothesis. The results demonstrate applicability of GUHA in structure-activity research, especially for qualitative data.
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Abbreviations
- Faq:
-
Fisher association quantifier
- ff-table:
-
four-fold table
- Fimpl:
-
founded implication quantifier
- GUHA:
-
general unary hypotheses automaton
- nah :
-
genes of naphthalene degradation pathway
- P.f. :
-
Pseudomonas fluorescens
- (Q)SAR:
-
(quantitative) structure-activity relationship
- RBL:
-
relative bioluminescence
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Trögl, J., Hálová, J., Kuncová, G. et al. Automatic formation of hypotheses on the relationships between structure of naphthalene analogs and bioluminescence response of bioreporter Pseudomonas fluorescens HK44. Folia Microbiol 55, 411–417 (2010). https://doi.org/10.1007/s12223-010-0069-7
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DOI: https://doi.org/10.1007/s12223-010-0069-7