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