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 Derek Nexus and Sarah Nexus meet the 5 OECD principles
- 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
- Is expert review an essential step when assessing mutagenic potential of drug impurities?
- Lhasa Limited supports an international initiative in the fight against COVID-19
- Lhasa Limited supports the global challenge of nitrosamine impurity assessment
- Predicting N-nitrosamine carcinogenic potency using structure-activity relationships (SARs)
- Replace, Reduce, Refine - How Lhasa Limited are supporting the 3Rs
- Supporting N-nitrosamine risk assessments for drug products
- 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 tools for priority setting: A case study with printed paper and board food contact material substances
- 3-Fluoro-4-Phenylaniline - Positive - Positive
- A comparison of Derek and Sarah Nexus
- 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 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
- Addressing toxicity risk when designing and selecting compounds in early drug discovery
- Advance your knowledge of ICH M7 A virtual expert review workshop
- An evaluation of in-house and off-the-shelf in silico models: Implications on guidance for mutagenicity assessment
- An Evaluation of the Occupational Health Hazards of Peptide Couplers
- An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines
- 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
- 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
- Assessment of the dermal sensitisation potency of extractables and leachables using existing data and in silico methods
- Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting
- Carbamates and ICH M7 classification: Making use of expert knowledge
- Carbamates, QSAR predictions and ICH M7 classification; making use of expert knowledge
- Chapter 17: Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity
- Chapter 3: Control Strategies for Mutagenic Impurities
- Chapter 7: Compound- and Class-Specific Limits for Common Impurities in Pharmaceuticals
- Chapter 9: Mutagenic Impurities – Assessment of Fate and Control Options
- 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
- 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 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 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 structure-activity relationships for N-nitrosamine activity
- Developing Structure-Activity Relationships for the Prediction of Hepatotoxicity
- Development of an Adverse Outcome Pathway Network to Support an Integrated Approach to Testing and Assessment of Carcinogenic Risk - SOT 2021 Presentation Slides
- 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 Systems - The Use of Expert Systems in Drug Design-Toxicity and Metabolism
- 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
- 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 carboxylic and sulfonic acid halides are represented within Derek Nexus and Sarah Nexus
- How to resolve inconclusive predictions from defined approaches for skin sensitisation in OECD Guideline No. 497
- ICH M7 - Regulatory Updates and Industry Practices - 2020 ICH M7 India Roadshows
- 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 Workshop - 2020 ICH M7 India Roadshows
- Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project
- Improvements to in silico skin sensitisation predictions through privacy-preserving data sharing
- In Silico Prediction of Genotoxicity Current Applications and Future Perspectives
- Integrating Knowledge Of Carcinogenicity Adverse Outcome Pathways (AOPs) With Experimental Data_EMGS Data Challenge 2020
- Introduction to in silico toxicology
- Investigating Adverse Outcome Pathway Models for Mitochondrial Toxicity.wmv
- 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
- Lhasa Limited's Skin Sensitisation Assessment Portfolio Infographic
- Management of pharmaceutical ICH M7 (Q)SAR predictions – The impact of model updates
- Methyl Sulfate - Negative - Equivocal
- Modelling Simple Toxicity Endpoints: Alerts, (Q)SARs and Beyond
- Mutagenic Impurities: Precompetitive/Competitive Collaborative and Data Sharing Initiatives
- Mutagenicity assessment strategy for pharmaceutical intermediates to aid limit setting for occupational exposure
- Negative Predictions for Skin Sensitisation
- New structural alerts for Ames mutagenicity discovered using emerging pattern mining techniques
- Nexus 2 - Improved functionality to assist in ICH M7 submission
- Nexus ICH M7 Expert Review Support Functionality (an infographic)
- N-Propyl Triazoline - Positive - Negative
- 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
- 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
- QSAR 2021 Addressing the global challenge of N-nitrosamine impurity assessment
- Relationship between the mutagenicity of arylboronic acids and 11B NMR chemical shifts
- Setaria 1.2 Installation Guide
- Setaria 1.2 Release Notes
- 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
- Tolfenamic Acid - Negative - Negative
- 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
- Updated Dermal Sensitisation Thresholds derived using an in silico expert system and an expanded Local Lymph Node Assay dataset
- Updating the Dermal Sensitisation Thresholds using an expanded dataset and an in silico expert system
- Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities
- Use of Novel Atomic Fragment Based Descriptors
- Use of the bacterial reverse mutation assay to predict carcinogenicity of N-nitrosamines
- 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
- Validating proposed improvements to phototoxicity expert alerts against proprietary data
- Validation of Nexus v.2.5.2 for Ames Mutagenicity
- Validation statistics for negative predictions in Derek Nexus 2022 1.0
- What Makes a Potent Nitrosamine? Statistical Validation of Expert-Derived Structure–Activity Relationships
- Workbook: Expert Review of EC3 Predictions - a workshop
