QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds
Authors
Keywords
-
Journal
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Volume 19, Issue 10, Pages 3015
Publisher
MDPI AG
Online
2018-10-04
DOI
10.3390/ijms19103015
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- The specific role of O6-methylguanine-DNA methyltransferase inhibitors in cancer chemotherapy
- (2018) Guohui Sun et al. Future Medicinal Chemistry
- The potential of combi-molecules with DNA-damaging function as anticancer agents
- (2017) Guohui Sun et al. Future Medicinal Chemistry
- Impact of geometry optimization methods on QSAR modelling: A case study for predicting human serum albumin binding affinity
- (2017) S. Önlü et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Classification of baseline toxicants for QSAR predictions to replace fish acute toxicity studies
- (2017) Monika Nendza et al. Environmental Science-Processes & Impacts
- In silico environmental chemical science: properties and processes from statistical and computational modelling
- (2017) Paul G. Tratnyek et al. Environmental Science-Processes & Impacts
- History of EPI Suite™ and future perspectives on chemical property estimation in US Toxic Substances Control Act new chemical risk assessments
- (2017) Marcella L. Card et al. Environmental Science-Processes & Impacts
- (Q)SARs to predict environmental toxicities: current status and future needs
- (2017) Mark T. D. Cronin Environmental Science-Processes & Impacts
- Synthesis and antitumor activity evaluation of a novel combi-nitrosourea prodrug: Designed to release a DNA cross-linking agent and an inhibitor of O6-alkylguanine-DNA alkyltransferase
- (2016) Guohui Sun et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Be aware of error measures. Further studies on validation of predictive QSAR models
- (2016) Kunal Roy et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- A DFT-based QSAR study on inhibition of human dihydrofolate reductase
- (2016) Sedat Karabulut et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- In silicoPrediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method
- (2016) Chen Zhang et al. Molecular Informatics
- QSAR study of the acute toxicity to fathead minnow based on a large dataset
- (2016) X. Wu et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling
- (2016) Tailong Lei et al. Journal of Cheminformatics
- In Silico Prediction of Cytochrome P450-Mediated Biotransformations of Xenobiotics: A Case Study of Epoxidation
- (2015) Jing Zhang et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Investigations on the Effect of O6-Benzylguanine on the Formation of dG-dC Interstrand Cross-Links Induced by Chloroethylnitrosoureas in Human Glioma Cells Using Stable Isotope Dilution High-Performance Liquid Chromatography Electrospray Ionization Tandem Mass Spectrometry
- (2014) Guohui Sun et al. CHEMICAL RESEARCH IN TOXICOLOGY
- In Silico Prediction of Chemical Acute Oral Toxicity Using Multi-Classification Methods
- (2014) Xiao Li et al. Journal of Chemical Information and Modeling
- QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS
- (2014) Paola Gramatica et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- DFT-based quantitative structure–activity relationship studies for antioxidant peptides
- (2014) Yunhui Cheng et al. STRUCTURAL CHEMISTRY
- QSARINS: A new software for the development, analysis, and validation of QSAR MLR models
- (2013) Paola Gramatica et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Application of Neural Networks in the Prediction of Surface Tensions of Binary Mixtures
- (2012) Hossein Parhizgar et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection
- (2012) Nicola Chirico et al. Journal of Chemical Information and Modeling
- In silico Prediction of Chemical Ames Mutagenicity
- (2012) Congying Xu et al. Journal of Chemical Information and Modeling
- LIBSVM
- (2012) Chih-Chung Chang et al. ACM Transactions on Intelligent Systems and Technology
- Predicting Carcinogenicity and Understanding the Carcinogenic Mechanism ofN-Nitroso Compounds Using a TOPS-MODE Approach
- (2011) Jintao Yuan et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Role of Cyclic Tertiary Amine Bioactivation to Reactive Iminium Species: Structure Toxicity Relationship
- (2011) Lucija Peterlin Masic CURRENT DRUG METABOLISM
- Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient
- (2011) Nicola Chirico et al. Journal of Chemical Information and Modeling
- Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models
- (2011) Alfonso Pérez-Garrido et al. Journal of Chemical Information and Modeling
- Estimation of ADME Properties with Substructure Pattern Recognition
- (2010) Jie Shen et al. Journal of Chemical Information and Modeling
- Evaluation of model predictive ability by external validation techniques
- (2010) Viviana Consonni et al. JOURNAL OF CHEMOMETRICS
- PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
- (2010) Chun Wei Yap JOURNAL OF COMPUTATIONAL CHEMISTRY
- Best Practices for QSAR Model Development, Validation, and Exploitation
- (2010) Alexander Tropsha Molecular Informatics
- Acute toxicity of some synthetic cyanogens in rats and their response to oral treatment with alpha-ketoglutarate
- (2009) R. Bhattacharya et al. FOOD AND CHEMICAL TOXICOLOGY
- Comments on the Definition of theQ2Parameter for QSAR Validation
- (2009) Viviana Consonni et al. Journal of Chemical Information and Modeling
- DFT-based de novo QSAR of Phenoloxidase Inhibitors
- (2008) Farhan Ahmad Pasha et al. Chemical Biology & Drug Design
- Quantitative and Mechanistic Read Across for Predicting the Skin Sensitization Potential of Alkenes Acting via Michael Addition
- (2008) Steven James Enoch et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Quantitative Structure−Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage
- (2008) Aliuska Morales Helguera et al. CHEMICAL RESEARCH IN TOXICOLOGY
- External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean
- (2008) Gerrit Schüürmann et al. Journal of Chemical Information and Modeling
- Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds☆Species: Rat; Sex: Male; Route of administration: Water
- (2008) Aliuska Morales Helguera et al. TOXICOLOGY AND APPLIED PHARMACOLOGY
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started