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Meteor Nexus

METEOR NEXUS

Meteor Nexus is an expert, knowledge-based software that gives you accurate metabolism predictions quickly. Meteor Nexus is the perfect cost-effective solution for scientists who need to understand the metabolic fate of chemicals.

 

Meteor Nexus is your trusted metabolism expert system. It is based on data implemented by scientists at Lhasa Limited, who continually work on the biotransformation knowledge base with current biotransformation knowledge.

Benefits

How Meteor Nexus Can Benefit You

Whether your industry is cosmetics, pharmaceuticals, chemicals, or you are in academia, Meteor Nexus can help you because it:

  • Provides information for decision-making when there is little or no experimental metabolism data available.
  • Helps to interpret data from mass spectrometry metabolism studies more quickly and accurately.
  • Shows predicted biotransformation and metabolite information graphically, and shows extensive supporting data from the knowledge base.
  • Covers phase I and phase II biotransformations.
  • Acts as a training or learning tool by using the extensive expert knowledge in the certified Lhasa knowledge base. Working with Meteor Nexus helps you to develop more in-depth knowledge about xenobiotic metabolism.

The certified Meteor knowledge base created and supplied by Lhasa Limited contains data from published sources and data donated by our member organisations. This data is collated, checked and verified by Lhasa scientists before being used to develop new knowledge rules and relationships. These rules and relationships are based on empirical observations that are supported by an understanding of the biotransformation mechanism or by rigorous vetting.

Approach

How Meteor Nexus Works

Using Nexus in the Lhasa Knowledge Suite, you submit your structures to Meteor Nexus. The structures are compared to the certified Lhasa knowledge base and the Lhasa metabolism database. 

Meteor Nexus then predicts the first generation metabolites by using one of three reasoning methods:

Each metabolite is analysed to predict further metabolism and the results are displayed in an interactive tree graphic along with supporting data, such as the reasoning behind each prediction, biotransformation details and metabolite path. The prediction is generated by applying expert knowledge rules in metabolism to the data returned from the knowledge base.

Meteor Knowledge Editor

Meteor Knowledge Editor enables you to create your own knowledge base that is based on the same schema used in the Lhasa-supplied Meteor knowledge base.

This means that you can effectively capture your organisation’s knowledge from past research and make it useful and easily accessible to your current research programs. Using Meteor Knowledge Editor, you can create and add knowledge, such as:

  • biotransformations and structure-activity relationships (SARs)
  • knowledge rules
  • literature references

 

 

Features of Meteor Nexus

Meteor Nexus has the following key features:

  • Fast processing — Meteor Nexus has the ability to run one or multiple predictions quickly.
  • Multiple knowledge bases — You can connect to, and process against, multiple knowledge bases simultaneously. This means that you can compare predictions from Lhasa knowledge and your own knowledge within seconds.
  • Multiple Reasoning Methodologies — Meteor contains three different methodologies for assessing the likelihood of observed metabolites.
  • Integration with SMARTCyp - The SMARTCyp program, developed at the University of Copenhagen, provides a prediction of the likely sites of Cytochrome P450 metabolism for a query compound. This program is integrated alongside Meteor Nexus to provide multiple metabolism predictions for consensus modelling.
  • Multiple concurrent predictions — You can run multiple predictions concurrently and alongside Derek Nexus predictions and Vitic Nexus queries.
  • Easy prediction setup and filtering — There is one setup screen that enables you to set up the prediction to suit your needs. After a prediction, you can also filter the results to focus on the metabolites that you are interested in.
  • Certified Lhasa knowledge base — Lhasa has certified its own knowledge so this cannot be edited. This confirms that the predictions are based on knowledge that has been implemented by Lhasa. Your own, custom knowledge can be stored in a separate knowledge base, which can be used to generate predictions simultaneously with the Lhasa knowledge.
  • Reasoning details — There is richly-detailed information for each prediction to help you to understand the basis of a prediction. There is also an easily accessible explanation of the impact that both the absolute and relative reasoning have had on the prediction results.
  • Hyperlinked references - Where the information is available in the knowledge base, references are hyperlinked to the original online journal publication. Depending on the journal access permissions of the end user they will be able to see the whole article or just the abstract, with the option to purchase the article.
  • Feature-rich results display — There are multiple ways to interact with and control the results. This makes it easy to focus on the information of interest. Additionally, you can open several query compounds simultaneously and create multiple predictions for each compound.
  • Usability with mass spectrometry (MS) software - Meteor Nexus contains a tabulated report, which facilitates the import/export of information between Meteor Nexus and MS software. You can easily manipulate the information in the report:
    • Modify the molecular masses of the predicted metabolites – for example, +/- a user-defined value.
    • Remove duplicates.
    • Specify the method of mass calculation: exact, nominal, average.
    • Specify the method of mass difference calculation including mass defect.

You can easily import observed molecular masses from MS software, and matching predicted metabolites within Meteor Nexus will be highlighted.

  • Export of predicted metabolite structures - You can easily export the structure of a predicted metabolite. This can be used for several purposes including further Meteor predictions, a Derek Nexus toxicity prediction or inclusion in proprietary reports.
  • Duplicate handling - Duplicate metabolite structures are identified by Meteor Nexus. You can select to view only one instance of each duplicate and find other duplicates.
  • Report customisation - You can customise the information that is included in the reports, and the order of this information. You can save customised report templates for future use. A tabulated report optionally contains any of the information available in the Meteor Nexus prediction results table.

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