ToxWeight
January 31, 2017
CORAL application logo
CORAL
January 31, 2017
ToxDelta focuses on the molecular structure differences, namely the dissimilarity features.

ToxDelta is a read across tool which identifies the differences between two substances.

The dissimilarities are presented as molecular fragments and their relevance in the toxicity assessment are evaluated against a knowledge based list of active and inactive mutagenicity (Ames test) structural alerts. It nicely complements ToxRead. While ToxRead identifies the similar compounds and the common structural alerts between the target and similar compound, ToxDelta evaluates the role of the dissimilar fragments in amplifying or reducing the toxicity.

 

A beta version of the application is available for download.

Please contact us for more details.