Lhasa Limited today announces the release of Nexus 2.2
Date: 12 December 2017
Derek Nexus (v6.0) has been updated to include negative predictions for the skin sensitisation endpoint.
The Lhasa skin sensitisation negative predictions dataset has been curated by Lhasa’s expert scientists. This dataset contains compounds which have been processed through Derek, fragmented and then classified into concerning or unconcerning.
A query compound which does not fire a skin sensitisation alert in Derek is then compared to these fragments and labelled as a Non-Sensitiser and may be further characterised as containing unclassified or misclassified features. The unclassified and misclassified featured are highlighted for expert review but are not necessarily indicators for activity.
Sarah Nexus (v3.0) displays detailed Ames strain information for prediction results and example compounds. The strain information available for each example compound is displayed, showing whether the data is positive, negative or equivocal/conflicted. This data is then used to create a strain profile for the hypothesis, using a heat map to show which strains have the highest contribution.
Other additional information will also be available in order to facilitate expert review. This includes additional compounds which are similar to the query but have not been used in the prediction, references, and experimental contribution sources.
Meteor Nexus (v3.1) has been improved to contain various updates and new features. These include new and modified biotransformations in the Knowledge Base, updates to the display of duplicate structures, and on path scoring for the Absolute/Relative reasoning methodology.
Furthermore, throughout Nexus, a large amount of work has been done on the standardisation of structures. Nexus standardises all input structures before processing them through its applications. Nexus has always validated input structures but Nexus 2.2 standardises more structures, or standardises them to better forms, with the aim of interpreting input structures more accurately for optimum predictions.
This release from Lhasa is comprised of Derek Nexus 6.0, Sarah Nexus 3.0 and Meteor 3.1. Also included are updated knowledge bases for Derek and Meteor Nexus (Derek KB 2018.1, Meteor KB 2018.1).
- Derek Nexus
- Meteor Nexus
- Sarah Nexus