Pharmaceutical
Related Publications
- 2012 vICGM 3 Collaborative Data Sharing.pdf
- 2012 vICGM3 Aromatic amines.pdf
- 2012 vICGM3 Boronic Acids.pdf
- 2012 virtual ICGM 8 Sarah.pdf
- 2012 virtual ICGM1 - Pfizer formulation.pdf
- 2012 virtual ICGM1 - Vitic Excipients.pdf
- 2012 virtual ICGM6 ToxML.pdf
- A Collaborative Approach towards Risk Assessment for Mutagenic Impurities.pdf
- A Data Sharing Initiative on the Toxicity of Excipients.pdf
- 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 rationale for determining, testing, and controlling specific impurities in pharmaceuticals that possess potential for genotoxicity
- A Tool to Assist Toxicological Knowledge Development by Mining Emerging Patterns from Toxic.pdf
- Adding In Vivo Mammalian Cytogenetics Data to SEND and ToxML.pdf
- Addressing toxicity risk when designing and selecting compounds in early drug discovery
- Adverse Outcome Pathways for Developmental Toxicity.pdf
- An Approach Toward the Prediction of Chemical Degradation Pathways.pdf
- An evaluation of in-house and off-the-shelf in silico models: Implications on guidance for mutagenicity assessment
- An Expert System To Predict the Forced Degradation of Organic Molecules
- An In Silico Approach To The Prediction Of S-Oxides Of Benzothiophenes, Dibenzothiophenes And Other Sulphur Heterocycles
- 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
- Application and Development of Negative Predictions in Derek.pdf
- Assessing Confidence in Predictions.wmv
- Biotransformation Pathways of Biocides and Pharmaceuticals in Freshwater Crustaceans
- Building an Expert Computer System to Predict Degradation Pathways
- 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
- Determination of compound-specific acceptable daily intakes for 11 mutagenic carcinogens used in pharmaceutical synthesis
- Developing Biotransformations to Predict the Cytochrome P450 Oxidative and Reductive Dehalogenation of Haloanilines and Haloethanes
- Developing Structure-Activity Relationships for the Prediction of Hepatotoxicity
- Development of Structure-Activity Relationships for Hepatotoxicity Using Proprietary Data.pdf
- An update on the GTI Purge Tool Project
- Excipients data sharing initiative a step towards 3-R principle implementation.pdf
- Expert Systems - The Use of Expert Systems in Drug Design-Toxicity and Metabolism
- Explaining and demonstrating successful use of purging and depletion strategies to control mutagenic impurities.pdf
- FDA/CDER Current Practices for (Q)SAR Analysis under ICH M7.pdf
- Food for thought - A toxicology ontology roadmap
- Giving Confidence for in silico GTI Assessment.pdf
- ICH M7 - Have you got it covered?
- In silico methods combined with expert knowledge rule out mutagenic potential of pharmaceutical impurities: An industry survey
- In Silico Prediction of Pharmaceutical Degradation Pathways: A Benchmarking Study
- Interpretation of statistical machine learning models for Ames mutagenicity.pdf
- Lilly - An Evaluation of in silico Mutagenicity Models for ICH M7 Draft Guidance.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...
- Sarah Nexus Batch Prediction Tutorial
- Strengthening the Case for in silico GTI Assessments.pdf
- Supporting members with the emerging ICH M7 guidelines.pdf
- Relationship between the mutagenicity of arylboronic acids and 11B NMR chemical shifts
- Derek Nexus in early discovery
- Computational approaches to managing mutagenicity risk for ICHM7 and beyond
- MIP-DILI Introduction Poster
- MIP-DILI Project Overview
- 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
- Generics Perspective: Success Strategies for Genotoxic Impurity Identification, Assessment and Control
- Evaluation Of A Statistics-based Ames Mutagenicity QSAR Model And Interpretation Of The Results Obtained
- 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
- Mutagenicity assessment strategy for pharmaceutical intermediates to aid limit setting for occupational exposure
- (Q)SAR assessments of potentially mutagenic impurities: A regulatory perspective on the utility of expert knowledge and data submission
- 38th ICGM Product Update.pdf
- 42nd ICGM Product Update.pdf
- Benchmarking Assessment of Salmonella Mutagenicity QSAR Models for Potential Use Under ICH M7.pdf
- Establishing best practice for the application of a novel statistical-model to evaluate potential mutagenic impurities under ICH M7
- Can public data improve mutagenicity predictions for proprietary compounds.pdf
- The use of integrated in silico solutions under the proposed ICH M7 guidelines final.pdf
- Building models of bacterial mutagenicity from biased training data.pdf
- Analysis of human and in vivo data for hepatotoxicity modelling.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
- Building Models within Sarah Nexus.pdf
- Derek Nexus and Sarah Nexus - working together for ICH M7.pdf
- Explaining and demonstrating successful use of purging and depletion strategies to control mutagenic impurities
- Progress on Building a Tool for Predicting the Purging of Mutagenic Impurities During Synthesis.pdf
- Living with M7.pdf
- Lhasa ICH M7 database
- Improving xenobiotic metabolite ranking
- Arylboronic acid genotoxicity - summary of data and knowledge.pdf
- Mirabilis: a tool for predicting the purging of mutagenic impurities during synthesis
- ICH M7 Workflow.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
- Practical examples of the new metabolism ranking system in Meteor Nexus.pdf
- Undertaking Expert Review under ICH M7 - A Practical Guide
- Investigation of an in vitro hepatotoxicity dataset to search for co-occurrence of signals amongst assays.
- 43rd ICGM Product Update
- Using Data to make Predictions in the Risk Assessment of Mutagenic Impurities
- Mutagenic impurities: predicting alerting structures using in silico tools
- TB Alliance Drug Discovery and Development: Harnessing Global Resources to Address a Global Disease
- Structure Guided Design and Optimization of Selective Kinase Inhibitors from Fragment Starting Points
- Practical Implementation of (Q)SAR and Expert Review for Compliance with ICH M7 Guidelines
- Cheminformatics from end-user perspective: Past, present and future
- Guiding Compound Design in 2,3...N Dimensions
- Effective use of experiment modeling for the capture and analysis of results in DMPK/ADME
- Harnessing comprehensive small molecule project data to inform design and decisions
- Going from 2D to 3D: The Importance of Visual Feedback
- Predicting the Purging of Impurities within an API Synthetic Pathway
- Speeding up and improving the Identification of a potent ß2 agonist as a growth promoter for cattle
- Improvements to in silico predictivity after access to proprietary data
- Evaluation Of The Statistics-Based Ames Mutagenicity Model Sarah Nexus And Interpretation Of The Results Obtained
- Summation of Toxicity Data in Vitic
- Using In Silico Software to Generate an ICH M7 Submission and Expert Review
- Elemental impurities in excipients: a pre-competitive data sharing initiative to support risk assessment under ICH Q3D.
- Derek for Windows - an example of a Knowledge-Based Prediction System.pdf
- A tool for predicting the purging of (potentially) mutagenic impurities during synthesis
- 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
- Refining the prediction of skin sensitisation potential: performance of the Derek Nexus knowledge base for a published dataset
- Skin Sensitisation - Negative Predictions, Validations and Integrated Testing Strategies
- Assessing confidence in predictions made by knowledge-based systems
- In Silico Strategies to Assess Potentially Mutagenic Impurities Under ICH M7
- How important is expert review when measuring EC3 predictions in Derek Nexus?: Alkyl halides - a case study
- Mechanistic Expert Call Datasets Provide 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
- Meteor Nexus: The implementation of the site of metabolism prediction methodology
- 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
- Phosphite esters: a novel class of contact allergen
- Nothing to report? An in silico fragmentation methodology for making explicit negative predictions of skin sensitisation
- 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
- Using Sarah Nexus Effectively: Intuitive Model Building and Interpreting Confidence
- 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 47th ICGM
- 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
- Sarah Nexus: The Statistical System for ICH M7
- An Overview of Lhasa Limited Collaborative Data Sharing Initiatives
- iPiE: Intelligence-led Assessment of Pharmaceuticals in the Environment
- 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
- Observations on the Pharma's Industry Convergence toward Cloud
- Nexus 2.2: An Overview of Key New Features - Sarah Nexus
- Nexus 2.2: An Overview of Key New Features - Derek and Meteor Nexus
- EC3: Methodology Explained
- Setaria 1.2 Installation Guide
- Potential impurities in drug substances: Compound-specific toxicology limits for 20 synthetic reagents and by-products, and a class-specific toxicology limit for alkyl bromides
- Strain profiles: Moving beyond binary Ames classification
- 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
- Sarah Nexus Strain Information
- Plans for Setaria - Incorporating Setaria into the Pfizer Workflow
- In Silico Prediction of DILI - Extraction of Histopathology Data from Preclinical Toxicity Data Studies of the eTOX Database for new In SIlico Models of Hepatotoxicity
- Skin sensitisation - What place does in silico have within a defined approach?
- Using New Features to Further Interrogate Sarah Nexus Predictions
- 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
- Strain Profiles: Moving Beyond Binary Ames Classification - A Summary
- Addressing the Challenge of Making Negative Predictions for Skin Sensitisation - A Summary
- An Elemental Impurities Excipient Database: A Viable Tool for ICH Q3D Drug Product Risk Assessment
- How Zeneth fits into ICH Q3D
- ICH M7 Overview: Predicting, Assessing, and Controlling Mutagenic Impurities from Degradation
- ICH M7 Use Cases
- Improving Toxicity Predictions through knowledge and data sharing
- Perspectivas Regulatórias sobre a Qualificação de Produtos de Degradação e Impurezas
- Supporting Lhasa Members in a Regulatory Setting
- Use of In Silico for Assessing Degradants
- Toxicity Studies for Degradation Impurities - An Industry Perspective
- Mutagenicity Predictions using a Statistical System
- Mirabilis: Using Mirabilis to Support Purge Arguments Under ICH M7
- CIGAA - Consortium for the Investigation of Genotoxicity of Aromatic Amines.pdf
- Making reliable negative predictions of human skin sensitisation using an in silico fragmentation approach
- Vitic - A Faster, More Efficient Searching Experience
- Developing an adverse outcome pathway framework for carcinogenicity from alerts in an expert rule-based system
- A pharma-wide approach to address the genotoxicity prediction of primary aromatic amines.
- Interpreting the Sensitivity and Equivocal Settings in Sarah Nexus
- Elemental Impurities Data Sharing Initiative
- A Defined Approach to Skin Sensitisation: Integrating Derek Nexus with In Chemico/In Vitro Assays Based on Exclusion Criteria
- Zeneth: an in silico tool to aid identification of degradants
- A Defined Approach for Predicting Skin Sensitisation Hazard and Potency
- Enhancing the ICH M7 Workflow through Setaria
- A consortium-driven framework to guide the implementation of ICH M7 Option 4 control strategies
- Setaria 2.0 Installation Guide
- Principles and procedures for handling out-of-domain and indeterminate results as part of ICH M7 recommended (Q)SAR analyses
- Important considerations for the validation of QSAR models for in vitro mutagenicity
- Save Time and Money with Lhasa Limited
- 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
- Skin Sensitisation Brochure
- The Liability Load and how Lhasa Limited Focuses on Reducing it
- How To - Filtering Mass Defect
- How low can you go? An analysis of lowest effective dose in the Ames test.
- Improving In Silico Predictions in Developmental and Reproductive Toxicology
- A Suggested ICH M7 Framework Using Lhasa Limited Products
- Setaria 3.0 Installation Guide
- ICHQ3D Implementation: Use of published data driven risk assessments
- RDC53: Challenges on impurities qualification
- Draft Reflection Paper - Non-Genotoxic Impurities
- Q3D Regulatory Case Study
- In silico prediction of Mutagenicity
