QSARINS: A new software for the development, analysis, and validation of QSAR MLR models
出版年份 2013 全文链接
标题
QSARINS: A new software for the development, analysis, and validation of QSAR MLR models
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 34, Issue 24, Pages 2121-2132
出版商
Wiley
发表日期
2013-06-21
DOI
10.1002/jcc.23361
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。- Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection
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- Further exploring rm2 metrics for validation of QSPR models
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- 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
- CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
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- Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models
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- Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy
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- Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
- (2010) Denis Fourches 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
- Best Practices for QSAR Model Development, Validation, and Exploitation
- (2010) Alexander Tropsha Molecular Informatics
- Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis
- (2008) Hao Zhu et al. Journal of Chemical Information and Modeling
- 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
- QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling
- (2008) Jiazhong Li et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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