The Prediction of Chromosomal Effects and Their ... - Lhasa Limited

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Example case for toxicophore identification 5-Substituted uracils
Toxicophore identification • Visual analysis highlighted that the data sets contained four 5-substituted uracils • All four compounds gave positive results in the in vitro chromosomal aberration test • <strong>The</strong>se were developed into a toxicophore, comprised <strong>of</strong> the common structural features allowing for some generalisation
Page 1 and 2: The Prediction of Chromosomal Effec
Page 3 and 4: Chromosomal effects • In vitro te
Page 5 and 6: Derek for Windows • Derek for Win
Page 7 and 8: Genotoxicity Coverage • Genotoxic
Page 9 and 10: Developing new alerts In vitro chro
Page 11: Toxicophore identification • Toxi
Page 15 and 16: Known active O HN O N H F Toxicopho
Page 17 and 18: Toxicophore development • The nex
Page 19 and 20: Initial toxicophore: O N O N Toxico
Page 21 and 22: O N O HN N OH O O F OH O Alert feat
Page 23 and 24: Results of toxicophore development
Page 25 and 26: Common mechanisms leading to chromo
Page 27 and 28: Chromosomal effect mechanisms Disru
Page 35 and 36: How computer systems are evaluated
Page 37 and 38: Evaluation results • The best res
Page 39 and 40: Combined systems - detailed results
Page 41 and 42: Combined systems - detailed results
Page 43: • Lhasa Limited � Kate Langton

The Prediction of Chromosomal Effects and Their ... - Lhasa Limited

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