Derek Nexus
Derek Nexus is the expert, knowledge-based software that gives you accurate toxicity predictions quickly. Early, accurate in silico toxicity tests using Derek Nexus is the quick, inexpensive way to identify potentially toxic chemicals, aiding your experts in rejecting unsuitable drug candidates.
Related Blog: Articles
- 20 tips for nitrosamine impurity assessment
- Derek Nexus – Achieving high accuracy with high coverage [an infographic]
- How to make mutagenicity assessment a simpler task
- ICH M7 Expert Review in action: New Expert Review functionality in Nexus 2.3 with worked examples
- Lhasa Limited supports an international initiative in the fight against COVID-19
- Lhasa Limited supports the global challenge of nitrosamine impurity assessment
- Trusting expert derived knowledge; an overview of alert creation in Derek Nexus
- We can apply a lot about how we trust one another when building and using in silico models
Related Publications
- (Q)SAR Evaluation of Drug Impurities from the US FDA Scientific Perspective
- (Q)SAR tools for priority setting: A case study with printed paper and board food contact material substances
- 3-Fluoro-4-Phenylaniline - Positive - Positive
- 46th ICGM Product Manager Update
- 49th ICGM Product Manager Update
- A Case Study in Predicting hERG Activity.
- A comparison of Derek and Sarah Nexus
- A Defined Approach for Predicting Skin Sensitisation Hazard and Potency
- A defined approach for predicting skin sensitisation hazard and potency based on the guided integration of in silico, in chemico and in vitro data using exclusion criteria
- A Defined Approach to Skin Sensitisation: Integrating Derek Nexus with In Chemico/In Vitro Assays - A Summary
- A Defined Approach to Skin Sensitisation: Integrating Derek Nexus with In Chemico/In Vitro Assays Based on Exclusion Criteria
- A Defined Approach to Skin Sensitization Using Derek Nexus and Non-Animal Assays
- A practical application of two in silico systems for identification of potentially mutagenic impurities
- A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure–activity alert spaces
- A Suggested ICH M7 Framework Using Lhasa Limited Products
- Achieving Innovation Through Collaborative Progress
- Addressing the Challenge of Making Negative Predictions for Skin Sensitisation
- Addressing the Challenge of Making Negative Predictions for Skin Sensitisation - A Summary
- Addressing toxicity risk when designing and selecting compounds in early drug discovery
- Advance your knowledge of ICH M7 A virtual expert review workshop
- Advances in In Silico Skin Sensitisation Predictions Using Derek Nexus
- Alternatives to in vivo testing for plant protection products
- An adverse outcome pathway framework to support developmental and reproductive toxicity risk assessments
- An adverse outcome pathway framework to support the assessment of DART liabilities of compounds
- An Automated Classification Workflow to Assist Expert Assessment and Regulatory Submission for ICH M7
- An evaluation of in-house and off-the-shelf in silico models: Implications on guidance for mutagenicity assessment
- An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines
- An Overview of Lhasa Limited Collaborative Data Sharing Initiatives
- An Overview of Recent Skin Sensitisation Work at Lhasa
- Applicability Domain: Towards a More Formal Framework to Express the Applicability of a Model and the Confidence in Individual Predictions
- Applicability of in silico genotoxicity models on food and feed ingredients
- Approaches to Skin Sensitisation Prediction
- Are all nitrosamines concerning? A review of mutagenicity and carcinogenicity data
- Are these alerting structures an appropriate aid in the expert analysis of two complementary QSAR predictions?
- Assessing confidence in predictions made by knowledge-based systems
- Assessing Confidence in Predictions.wmv
- Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting
- Beyond Mutagenicity: Supporting Toxicity Assessments For Other Endpoints
- Carbamates and ICH M7 classification: Making use of expert knowledge
- Carbamates, QSAR predictions and ICH M7 classification; making use of expert knowledge
- Carcinogenicity Adverse Outcome Pathways
- Comparing and combining in silico outcomes and in vitro mechanism-based assays to predict genotoxicity
- Computational Systems Pharmacology and Toxicology - Tools for Green Molecular Design to Reduce Toxicological Risk
- Current advances in skin sensitization in silico predictions and their use in a defined approach
- Data Sharing with Lhasa
- Dealing with Out of Domain (Q)SAR Predictions for ICH M7: A Regulatory and Industrial Perspective
- Demonstration of a Defined Approach for Skin Sensitisation Web Application
- Derek Knowledge Editor 2.0 Installation Guide
- Derek Knowledge Editor 2.0 Release Notes.pdf
- Derek Nexus - Achieving High Accuracy with High Coverage
- Derek Nexus and the Prediction of Human Skin Sensitisation Potential - A Summary
- Derek Nexus and the Prediction of Human Skin Sensitisation Potential: An Evaluation
- Derek Nexus Brochure
- Derek Nexus Carcinogenicity QMRF.pdf
- Derek Nexus Chromosome Damage QMRF.pdf
- Derek Nexus HERG QMRF.pdf
- Derek Nexus Mutagenicity QMRF.pdf
- Derek Nexus Skin Sensitisation QMRF.pdf
- Derek Nexus Teratogenicity QMRF.pdf
- Derek Nexus, Sarah Nexus and Vitic: How they fit into ICH M7 - ICH M7 India Roadshows
- Derek Nexus, The Expert System for ICH M7 - ICH M7 India Roadshows
- Derek Web Service 6.0 DX-XML Results Format
- Derek Web Service 6.0 Installation Guide
- Derek Web Service 6.0 Release Notes
- Derek Web Service 6.0 User Guide
- Derek Web Services 6.0 Pipeline Pilot Installation and User Guide
- Developing an adverse outcome pathway framework for carcinogenicity from alerts in an expert rule-based system
- Developing an adverse outcome pathway framework for carcinogenicity from alerts in an expert rule-based system.
- Developing Structure-Activity Relationships for the Prediction of Hepatotoxicity
- Development Of A Network Of Adverse Outcome Pathways (AOPs) For Carcinogenicity
- Development of an Adverse Outcome Pathway (AOP) Network for Carcinogenicity Using Expert-Derived (Q)SAR Knowledge. Poster
- Development of an Adverse Outcome Pathway Network to Support an Integrated Approach to Testing and Assessment of Carcinogenic Risk - SOT 2021 Presentation Slides
- Developmental and Reproductive Toxicity Predictions in Derek Nexus
- Distinguishing between expert and statistical systems for application under ICH M7
- Do all nitrosamines pose a significant level of genotoxic risk? (Webinar Presentation Slides)
- Drawing Conventions.pdf
- EC3: Methodology Explained
- Establishing best practise in the application of expert review of mutagenicity under ICH M7
- Evaluation of the Global Performance of Eight In Silico Skin Sensitization Models Using Human Data
- Expert Review of EC3 Predictions
- Expert Review of In Silico Predictions for Skin Sensitization Potency
- Expert review of the mutagenicity of carbamates - using (Q)SAR predictions for ICH M7 classification
- Expert Systems - The Use of Expert Systems in Drug Design-Toxicity and Metabolism
- Extrapolation of in vitro mutagenicity alerts to the in vivo endpoint in Derek Nexus
- Extrapolation of in vitro structural alerts for mutagenicity to the in vivo endpoint
- Food for thought - A toxicology ontology roadmap
- Generation of novel in chemico in vitro skin sensitisation data to evaluate the human relevance of defined approaches
- Getting under the skin of an in silico approach to predicting dermal sensitisation
- GSK MI risk assessment process Camicinal at al - 2020 ICH M7 India Roadshow
- Hazard Assessment of Potentially Mutagenic Impurities - 2020 ICH M7 India Roadshows
- How important is expert review when measuring EC3 predictions in Derek Nexus?: Alkyl halides - a case study
- ICH M7 - Regulatory Updates and Industry Practices - 2020 ICH M7 India Roadshows
- ICH M7 - Risk assessment for mutagenic impurities and control strategies
- ICH M7 Brochure
- ICH M7 Classification Workflow
- ICH M7 Expert Review Workshop: Resolving common prediction scenarios using automated arguments in Nexus 2.3 (Webinar Presentation Slides)
- ICH M7 Perception: Unifying Knowledge from Predictions to Purging
- ICH M7 Use Cases
- ICH M7 Workshop - 2020 ICH M7 India Roadshows
- ICH M7 Workshop Japanese ICGM 2019
- Important considerations for the validation of QSAR models for in vitro mutagenicity
- Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project
- Improvements to in silico predictivity after access to proprietary data
- Improving In Silico Predictions in Developmental and Reproductive Toxicology
- Improving performance of structural alerts for the in vitro mutagenicity endpoint using proprietary data - Rachael Tennant
- Improving Toxicity Predictions through knowledge and data sharing
- In Silico Prediction of Genotoxicity Current Applications and Future Perspectives
- In silico prediction of Mutagenicity
- In silico prediction of the skin sensitisation potential of non-quinonoid Michael acceptors: new reactivity assessments and evidence based precursor selection
- In Silico Predictions For Genotoxicity
- In Silico Strategies to Assess Potentially Mutagenic Impurities Under ICH M7
- In silico toxicity profiling of natural product compound libraries from African flora with anti-malarial and anti-HIV properties
- In silico workflow under ICH M7
- Integrated hazard identification of chemical sensitizers using in vitro and in silico readouts - A comparative evaluation of predictive performance
- Integrating Knowledge Of Carcinogenicity Adverse Outcome Pathways (AOPs) With Experimental Data
- Integrating Knowledge Of Carcinogenicity Adverse Outcome Pathways (AOPs) With Experimental Data_EMGS Data Challenge 2020
- Introduction to in silico toxicology
- Introduction to Lhasa - Applying ICH M7 - What makes an expert
- Investigating Adverse Outcome Pathway Models for Mitochondrial Toxicity.wmv
- Is preclinical data sharing the new norm?
- It’s difficult, but important, to make negative predictions
- Japanese ICH M7 Examples
- Latest advances in computational genotoxicity prediction
- Lhasa and the ICH M7 Guideline - 2020 ICH M7 India Roadshow
- Lhasa Expert Review Developments - 2020 ICH M7 India Roadshows
- Lhasa Knowledge Suite Nexus 2.2 Data Set References for Validation Comments
- Lhasa Knowledge Suite Nexus 2.2 Installation Guide
- Lhasa Knowledge Suite Nexus 2.2 Release Notes
- Lhasa Knowledge Suite Nexus 2.3 Release Notes
- Looking Under the Hood – Expert Review of In Silico Carcinogenicity Predictions.
- Making reliable negative predictions of human skin sensitisation using an in silico fragmentation approach
- Management of pharmaceutical ICH M7 (Q)SAR predictions – The impact of model updates
- Managing Mutagenic Impurity Risks in Pharmaceutical Products
- Manual and Computational Methods for the Evaluation of Statistical Predictions Based on Expert Analysis
- Manual and Computational Methods for the Evaluation of Statistical Predictions Based on Expert Analysis
- Mechanistic Expert Call Datasets Support in silico Prediction of Teratogenicity for a Wider Chemical Space
- Meeting report, ICH M7 relevant workshop: use of (Q)SAR systems and expert judgment
- Methyl Sulfate - Negative - Equivocal
- Modelling Simple Toxicity Endpoints: Alerts, (Q)SARs and Beyond
- Mutagenic Impurities: Precompetitive/Competitive Collaborative and Data Sharing Initiatives
- Mutagenic impurities: predicting alerting structures using in silico tools
- Mutagenicity assessment strategy for pharmaceutical intermediates to aid limit setting for occupational exposure
- Mutagenicity Prediction Using In Silico Methods: Gigabyte-Sized Petri Dishes
- Negative Predictions for Skin Sensitisation
- Negative Predictions for Skin Sensitisation 46th ICGM
- Negative Predictions for Skin Sensitisation 47th ICGM
- New structural alerts for Ames mutagenicity discovered using emerging pattern mining techniques
- Nexus 2 - Improved functionality to assist in ICH M7 submission
- Nexus 2.2: An Overview of Key New Features - Derek and Meteor Nexus
- Nexus ICH M7 Expert Review Support Functionality (an infographic)
- Nothing to report? An in silico fragmentation methodology for making explicit negative predictions of skin sensitisation
- N-Propyl Triazoline - Positive - Negative
- Performance of Derek Nexus’ In Silico EC3 Model for Predicting Dermal Sensitization Potency
- Phenyltrifluoroborate - Positive - Out Of Domain
- Potentially mutagenic impurities: Analysis of structural classes and carcinogenic potencies of chemical intermediates in pharmaceutical syntheses supports alternative methods to the default TTC...
- Predicting N-Nitrosamine Activity from SAR
- Predicting skin sensitisation using a decision tree integrated testing strategy with an in silico model and in chemico/in vitro assays
- Predicting skin sensitisation using a decision tree integrated testing strategy with an in silico model and in chemico/in vitro assays
- Prediction of genotoxic potential of cosmetic ingredients by an in silico battery system consisting of a combination of an expert rule-based system and a statistics-based system
- Predictions, Data and ICH M7 - 2020 ICH M7 India Roadshows
- Predictive Toxicology: Using In Silico Systems
- Product Update 2019
- Product Update ICGM Presentation
- QSAR 2021 Addressing the global challenge of N-nitrosamine impurity assessment
- Quantitative prediction of skin sensitisation potency based on structural alert spaces
- RDC53: Challenges on impurities qualification
- Regulatory Submission Under ICH M7 - Application of Expert Review
- Relationship between the mutagenicity of arylboronic acids and 11B NMR chemical shifts
- Save Time and Money with Lhasa Limited
- Setaria 1.2 Installation Guide
- Setaria 1.2 Release Notes
- Setting the basis for the mutagenicity assessment of new dyes: Application to the Max Weaver Dye Library
- Skin Sensitisation - Negative Predictions, Validations and Integrated Testing Strategies
- Skin sensitisation - What place does in silico have within a defined approach?
- Skin Sensitisation Brochure
- Skin sensitisation: Now and the Future
- The application of in silico models to support decision making in toxicology
- The application of SARs to the prediction of the mutagenic activity of chemicals
- The importance of expert review to clarify ambiguous situations for (Q)SAR predictions under ICH M7
- The Liability Load and how Lhasa Limited Focuses on Reducing it
- The use of Derek Nexus to facilitate decision-making in chemical safety assessment.
- Tolfenamic Acid - Negative - Negative
- Toxicity Evaluation of Degradation Products
- Toxicity Studies for Degradation Impurities - An Industry Perspective
- Understanding Negative Predictions in Derek Nexus
- Understanding Negative Predictions in Derek Nexus - A Detailed Workflow
- Undertaking Expert Review under ICH M7 - A Practical Guide
- Updated Dermal Sensitisation Thresholds derived using an in silico expert system and an expanded Local Lymph Node Assay dataset
- Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities
- Use of In Silico Tools for Toxicity Prediction Within ICH M7
- Use of Novel Atomic Fragment Based Descriptors
- Using Derek Nexus as part of a skin sensitisation integrated testing strategy (ITS)
- Using Derek Nexus to assess the safety of raw materials used in cosmetics
- Using In Silico Tools in a Weight of Evidence Approach to Aid Toxicological Assessment
- Using in vitro structural alerts for chromosome damage to predict in vivo activity and direct future testing
- Utility of Published DNA reactivity alerts
- Utilization Of Derek Nexus Dermal Sensitization Predictions For Hazard Assessment At Bristol-Myers Squibb
- Validating proposed improvements to phototoxicity expert alerts against proprietary data
- Welcome and Introduction to ICH M7 - ICH M7 India Roadshows
- What would you do? 47th and 48th ICGMs
- Why data sharing is important - a case study using proprietary mutagenicity and skin sensitisation data.pdf
- Workbook: Expert Review of EC3 Predictions - a workshop
