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 Publications
- Investigation of Structure-Activity Relationships for Mitochondrial Toxicity.pdf
- New Structural Alerts for Phospholipidosis.pdf
- Rapid prototyping for SAR development.pdf
- Structure-activity Relationship Suggestion by a Neuro-Fuzzy Logic Engine.pdf
- Using Existing In Vitro Structural Alerts For Chromosome Damage To Predict In Vivo Activity And Direct Future Testing
- Using Structural Alerts to Assess the Relevance of in vitro Cytogenetic Tests.pdf
- Addressing toxicity risk.pdf
- Structure-Reactivity and Reactivity-Toxicity Relationships - Intelligent Testing .pdf
- SAR Models for Mammalian Genetox.pdf
- Use of Novel Atomic Fragment Based Descriptors
- A knowledge-based approach to the in silico assessment of toxicity .pdf
- A practical application of two in silico systems for identification of potentially mutagenic impurities
- A Tool to Assist Toxicological Knowledge Development by Mining Emerging Patterns from Toxic.pdf
- Addressing toxicity risk when designing and selecting compounds in early drug discovery
- Adverse Outcome Pathways for Developmental Toxicity.pdf
- 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 introduction to Lhasa Limited and Derek Nexus 180413.pdf
- Analysis of human and in vivo data for hepatotoxicity modelling
- API 3.0 Pipeline Pilot Installation and User Guide.pdf
- API 3.0 Installation Guide
- API 3.0 Release notes.pdf
- API 3.0 User Guide.pdf
- Application and Development of Negative Predictions in Derek.pdf
- Assessing Confidence in Predictions.wmv
- Collaborative Solutions to ICH M7.pdf
- Combined Use of a Database and an Expert System as an In Silico Tool for Predicting Toxicity.pdf
- Comparative Evaluation of in Silico Systems for Ames Test Mutagenicity Predict.pdf
- Defining Applicability Domains for Structural Alerts for Mutagenicity.pdf
- Derek 2011 Knowledge Base Release Notes.pdf
- Derek 2011i Release Notes.pdf
- Derek D2012.1 Knowledge Base Release Notes.pdf
- Derek Knowledge Editor 2.0 Installation Guide
- Derek Knowledge Editor 2.0 Release Notes.pdf
- Derek Nexus 2010 Release Notes.pdf
- Derek Nexus predicts human skin sensitisation accurately. What is the rationale behind its predictive performance?.pdf
- Derek Nexus predicts human skin sensitisation. What is the rationale behind its predictivity?
- Developing Structure-Activity Relationships for the Prediction of Hepatotoxicity
- Development of Structure-Activity Relationships for Hepatotoxicity Using Proprietary Data.pdf
- Examining the role of in silico assessment in skin sensitisation integrated testing strategies
- Expert Systems - The Use of Expert Systems in Drug Design-Toxicity and Metabolism
- Food for thought - A toxicology ontology roadmap
- Giving Confidence for in silico GTI Assessment.pdf
- ICH M7 - Have you got it covered?
- In Silico Analysis Of A Human Cardiac Adverse Effects Data Set.pdf
- In silico systems conforming to the OECD Principles for (Q)SAR Validation.pdf
- In Silico Systems For The Prediction Of Toxicity
- Introduction to in silico toxicology
- Investigating Adverse Outcome Pathway Models for Mitochondrial Toxicity.wmv
- Investigating the Role of Mitochondrial Toxicity in Drug-Induced Liver Injury via Congruent Structure-Activity relationships.
- Latest advances in computational genotoxicity prediction
- Lhasa Knowledge Suite - Nexus 1.5 Installation Guide.pdf
- Lhasa Knowledge Suite - Nexus 1.5 Release Notes.pdf
- Lhasa Knowledge Suite - Nexus 2.0 Installation Guide
- Lhasa Knowledge Suite - Nexus 2.0 Release Notes
- Lhasa Knowledge Suite - Nexus 1.7 Release Notes
- Lhasa Knowledge Suite - Nexus 1.7 Installation Guide.pdf
- Lhasa Knowledge Suite - Nexus 1.6 Installation Guide
- Lilly - An Evaluation of in silico Mutagenicity Models for ICH M7 Draft Guidance.pdf
- L-Patterns - A novel perspective on structure class definition and search in chemical structural spaces
- Making Negative Predictions for Mutagenicity.pdf
- Negative predictions in Derek Nexus.pdf
- New structural alerts for Ames mutagenicity discovered using emerging pattern mining techniques
- Mitotic Spindle Disruption - A Mechanism for Teratogenicity.pdf
- 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...
- Predicting the Genotoxicity of Allylbenzene Compounds.pdf
- 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
- Providing Structures.swf
- Strengthening the Case for in silico GTI Assessments.pdf
- Supporting members with the emerging ICH M7 guidelines.pdf
- The application of SARs to the prediction of the mutagenic activity of chemicals
- The Nephrotoxicity of Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)
- The use of a published data set for the development of new structure-activity relationship (SAR) alerts for skin sensitisation
- The use of in silico tools to reduce toxicity testing.pdf
- ToxML - a Data Exchange Standard with Content Controlled Vocabulary Used to Build Better (Q)SAR Models.pdf
- Update on Negative Predictions in Derek.pdf
- Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities
- Use of in vivo and mechanistic evidence for the development of structural alerts for the prediction of non-genotoxic carcinogenicity
- Use of Multiple Systems for Mutagenicity Prediction.wmv
- Use of teratogenicity data towards building a transparent expert assay prediction system.pdf
- Using In Silico Tools in a Weight of Evidence Approach to Aid Toxicological Assessment
- Utilising Knowledge Relating To 5a-Reductase Inhibition In The Prediction Of Teratogenicity.pdf
- Utilising Knowledge Relating to 5α-Reductase Inhibition In The Prediction of Teratogenicity
- Validating Alerts in Derek Nexus.pdf
- Relationship between the mutagenicity of arylboronic acids and 11B NMR chemical shifts
- Examples of expert systems for toxicity and metabolism prediction
- Derek Nexus in early discovery
- Using in vitro structural alerts for chromosome damage to predict in vivo activity and direct future testing
- Computational approaches to managing mutagenicity risk for ICHM7 and beyond
- Mutagenic Impurities: Precompetitive/Competitive Collaborative and Data Sharing Initiatives
- Examining the myths and realities of aromatic amine mutagenicity
- Derek - predicting mutagenicity and the ICH M7 guidelines.pdf
- Comparative assessment of several in silico systems and models to predict the outcome of the Ames mutagenicity assay
- Establishing best practise in the application of expert review of mutagenicity under ICH M7
- Generics Perspective: Success Strategies for Genotoxic Impurity Identification, Assessment and Control
- Structure-Activity Relationships for Respiratory Sensitisation and Occupational Asthma Caused by Low Molecular Weight Chemicals
- It’s difficult, but important, to make negative predictions
- Predicting skin sensitisation using a decision tree integrated testing strategy with an in silico model and in chemico/in vitro assays
- Lhasa Knowledge Suite - Nexus 2.1 Installation Guide
- Mutagenicity assessment strategy for pharmaceutical intermediates to aid limit setting for occupational exposure
- 38th ICGM Product Update.pdf
- 42nd ICGM Product Update.pdf
- Using Adverse Outcome Pathways to Highlight Existing Knowledge for Mechanisms of Teratogenicity Resulting from Endocrine Disruption
- Can public data improve mutagenicity predictions for proprietary compounds.pdf
- Identification of Adverse Outcome Pathways for the Nephrotoxicity of Nucleoside and Nucleotide Anti-Viral Drugs
- The use of integrated in silico solutions under the proposed ICH M7 guidelines final.pdf
- Examining the role of in silico assessment in skin sensitisation integrated testing strategies.pdf
- Adverse outcome pathways for the nephrotoxicity of non-steroidal anti-inflammatory drugs.pdf
- Computational Approaches to Managing Mutagenicity Risk for ICH M7 and Beyond.pdf
- ICH M7 How Lhasa can support you.pdf
- The Lhasa Limited Member Reprotox Consultation Initiative.pdf
- Lhasa Limited Product Update.pdf
- The Scientific Basis of Negative Prediction in Derek Nexus.pdf
- Derek Nexus and Sarah Nexus - working together for ICH M7.pdf
- Analysis of human and in vivo data for hepatotoxicity modelling.pdf
- Living with M7.pdf
- Product Update - March 2015.pdf
- Scientific Update - March 2015.pdf
- The Nephrotoxicity of Non-Steroidal Anti-Inflammatory Drugs.pdf
- Using In Vitro Structural Alerts For Chromosome Damage to Predict In Vivo Activity and Direct Future Testing
- Development of the EC3 prediction engine in Derek
- Arylboronic acid genotoxicity - summary of data and knowledge.pdf
- ICH M7 Workflow.pdf
- The implementation of potency predictions for skin sensitisation in Derek Nexus.pdf
- Lhasa's scientific approach to potency prediction for skin sensitisation.pdf
- 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
- Lhasa Knowledge Suite - Nexus 2.1 Release Notes
- In silico approaches to knowledge and data sharing
- 43rd ICGM Product Update
- Improvements to In Silico Skin Sensitization Predictivity After Access to Proprietary Data
- Improvements to in silico mutagenicity predictivity of aromatic amines with access to proprietary data
- Mutagenic impurities: predicting alerting structures using in silico tools
- Implementation of ICH M7 Recommended (Q)SAR Analyses
- Advantages in Utilizing an Integrated In Silico Solution for ICH M7 Expert Review
- Predicting skin sensitisation using a decision tree integrated testing strategy with an in silico model and in chemico/in vitro assays
- Improvements to in silico predictivity after access to proprietary data
- Quantitative prediction of skin sensitisation potency based on structural alert spaces
- 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
- Developing expert in silico systems
- The use of in silico tools to support expert review under ICH M7
- 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
- Derek for Windows - an example of a Knowledge-Based Prediction System.pdf
- ICH M7 - Worked Examples using the new Nexus workflow
- Skin sensitisation: Now and the Future
- Skin sensitisation: The implementation of potency predictions in Derek Nexus
- 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?
- How to discover new structural alerts and recognise new secondary molecular attributes that modulate alert effectiveness
- Refining the prediction of skin sensitisation potential: performance of the Derek Nexus knowledge base for a published dataset
- Derek and Sarah for Web
- Product Update 44th ICGM
- Skin Sensitisation - Negative Predictions, Validations and Integrated Testing Strategies
- ICH M7 Classification and the involvement of (Q)SAR methods
- Assessing confidence in predictions made by knowledge-based systems
- Explora, A New Language to Define Powerful Structural Queries.pdf
- Drawing Conventions.pdf
- Advantages in Utilizing an Integrated In Silico Solution for ICH M7 Expert Review
- 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
- Can in silico models be used in place of the LLNA to predict the skin sensitisation of cosmetics
- Mechanistic Expert Call Datasets Provide In Silico Prediction of Teratogenicity for a Wider Chemical Space
- Mechanistic Expert Call Datasets Support in silico Prediction of Teratogenicity for a Wider Chemical Space
- Utilization Of Derek Nexus Dermal Sensitization Predictions For Hazard Assessment At Bristol-Myers Squibb
- ICH M7 Classification Workflow
- Quantitative prediction of skin sensitisation potency based on structural alert spaces
- Performance of Derek Nexus’ In Silico EC3 Model for Predicting Dermal Sensitization Potency
- Workbook: Expert Review of EC3 Predictions - a workshop
- A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure–activity alert spaces
- 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
- An Overview of Lhasa Limited Collaborative Data Sharing Initiatives
- 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
- Lhasa Data Sharing Experience at Bristol-Myers Squibb
- 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 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 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
- 49th ICGM Product Manager Update
- Skin sensitisation - What place does in silico have within a defined approach?
- An Overview of Recent Skin Sensitisation Work at Lhasa
- ICH M7 Brochure
- 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
- 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
- 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
- Current advances in skin sensitization in silico predictions and their use in a defined approach
