Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?
Kunal Roy(Jadavpur University), Probir Kumar Ojha(Jadavpur University), Pravin Ambure(Jadavpur University), Supratik Kar(Kean University)
Cited by 129
Related Papers
On a simple approach for determining applicability domain of QSAR models
|Chemometrics and Intelligent Laboratory Systems|2015|770
Green Chemistry in the Synthesis of Pharmaceuticals
|Chemical Reviews|2021|520
Some case studies on application of “<i>r</i><sub><i>m</i></sub><sup>2</sup>” metrics for judging quality of quantitative structure–activity relationship predictions: Emphasis on scaling of response data
|Journal of Computational Chemistry|2013|468
Comparative Studies on Some Metrics for External Validation of QSPR Models
|Journal of Chemical Information and Modeling|2011|453
A Primer on QSAR/QSPR Modeling
|Springer briefs in molecular science|2015|327