Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization
出版年份 2019 全文链接
标题
Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization
作者
关键词
-
出版物
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
Volume 30, Issue 6, Pages 447-455
出版商
Informa UK Limited
发表日期
2019-05-24
DOI
10.1080/1062936x.2019.1615547
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Good and Bad Molecular fingerprints for human rhinovirus 3C protease inhibition: Identification, validation and application in designing of new inhibitors through Monte Carlo-based QSAR study
- (2019) Sanskar Jain et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- The application of new HARD-descriptor available from the CORAL software to building up NOAEL models
- (2018) Alla P. Toropova et al. FOOD AND CHEMICAL TOXICOLOGY
- Use of The Index of Ideality of Correlation to improve predictive potential for biochemical endpoints
- (2018) Andrey A. Toropov et al. TOXICOLOGY MECHANISMS AND METHODS
- Prediction of the adsorption coefficients of some aromatic compounds on multi-wall carbon nanotubes by the Monte Carlo method
- (2018) S. Ahmadi et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?
- (2017) Andrey A. Toropov et al. MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS
- Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization
- (2017) S. Bhargava et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Monte Carlo method based QSAR modelling of natural lipase inhibitors using hybrid optimal descriptors
- (2017) A. Kumar et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors
- (2017) V. Prachayasittikul et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?
- (2017) Alla P. Toropova et al. SCIENCE OF THE TOTAL ENVIRONMENT
- Index of Ideality of Correlation: new possibilities to validate QSAR: a case study
- (2017) Andrey A. Toropov et al. STRUCTURAL CHEMISTRY
- QSAR study of 2,4-dihydro-3H-1,2,4-triazol-3-ones derivatives as angiotensin II AT1 receptor antagonists based on the Monte Carlo method
- (2017) Viktor Stoičkov et al. STRUCTURAL CHEMISTRY
- Hybrid optimal descriptors as a tool to predict skin sensitization in accordance to OECD principles
- (2017) Alla P. Toropova et al. TOXICOLOGY LETTERS
- Mechanism-Based QSAR Modeling of Skin Sensitization
- (2015) J. C. Dearden et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Skin Sensitization Prediction Using Quantum Chemical Calculations: A Theoretical Model for the SNAr Domain
- (2014) Malinee Promkatkaew et al. CHEMICAL RESEARCH IN TOXICOLOGY
- Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models
- (2012) Kunal Roy et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: An unexpected good prediction based on a model that seems untrustworthy
- (2011) A.P. Toropova et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Analysis of the co-evolutions of correlations as a tool for QSAR-modeling of carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy
- (2010) Alla Toropova et al. Open Chemistry
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now