Chemical
Related Publications
- 2012 vICGM 3 Collaborative Data Sharing.pdf
- 2012 virtual ICGM 8 Sarah.pdf
- 2012 virtual ICGM6 ToxML.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 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
- 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
- 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
- Examining the role of in silico assessment in skin sensitisation integrated testing strategies
- 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
- Food for thought - A toxicology ontology roadmap
- Giving Confidence for in silico GTI Assessment.pdf
- How To - Filtering Mass Defect
- Sarah Nexus Batch Prediction Tutorial
- 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
- 38th ICGM Product Update.pdf
- Benchmarking Assessment of Salmonella Mutagenicity QSAR Models for Potential Use Under ICH M7.pdf
- Can public data improve mutagenicity predictions for proprietary compounds.pdf
- Building models of bacterial mutagenicity from biased training data.pdf
- Analysis of human and in vivo data for hepatotoxicity modelling.pdf
- Computational Approaches to Managing Mutagenicity Risk for ICH M7 and Beyond.pdf
- Building Models within Sarah Nexus.pdf
- Derek Nexus and Sarah Nexus - working together for ICH M7.pdf
- Improving xenobiotic metabolite ranking
- Undertaking Expert Review under ICH M7 - A Practical Guide
- 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
- Improvements to in silico predictivity after access to proprietary data
- Summation of Toxicity Data in Vitic
- 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: The implementation of potency predictions in Derek Nexus
- Assessing confidence in predictions made by knowledge-based systems
- The Liability Load and how Lhasa Limited Focuses on Reducing it
- Capturing and curating in vitro data from diverse sources to support MIE investigation for hepatotoxicity
- 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
- 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
- Nothing to report? An in silico fragmentation methodology for making explicit negative predictions of skin sensitisation
- Sarah Nexus: The Statistical System for ICH M7
- An Overview of Lhasa Limited Collaborative Data Sharing Initiatives
- Negative Predictions for Skin Sensitisation
- Lhasa Data Sharing Experience at Bristol-Myers Squibb
- Expert Review of In Silico Predictions for Skin Sensitization Potency
- 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
- Nexus 2.2: An Overview of Key New Features - Sarah Nexus
- Nexus 2.2: An Overview of Key New Features - Derek and Meteor Nexus
- 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
- 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?
- 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
- Making reliable negative predictions of human skin sensitisation using an in silico fragmentation approach
- Vitic - A Faster, More Efficient Searching Experience
- A pharma-wide approach to address the genotoxicity prediction of primary aromatic amines.
- 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
