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    FEB 2018
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Beyond Simple Chemical Structure Similarity Assessment

pdf fileLong A; O'Leary-Steele C; Ponting DJ; Murray E;

Beyond Simple Chemical Structure Similarity Assessment - Moving Towards Quantitative Chemical and Metabolic Reaction Similarity

There is a recognised need for read-across approaches to move beyond grouping chemicals based purely on the similarities of their molecular structures. Lhasa has developed three approaches (two general and one specific) that could be deployed to group chemicals based on similarity in their predicted metabolic biotransformation profiles.


Presented by Tony Long at the EU-ToxRisk Spring General Assembly Meeting



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