| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7563606 | Chemometrics and Intelligent Laboratory Systems | 2012 | 11 Pages |
Abstract
⺠Most of the commonly used validation metrics do not consider rank-order predictions. ⺠For rank-order predictions in QSAR, we introduce the new rm2(rank) metric. ⺠It exhibits lowest difference in ranking from the Spearman's rank correlation coefficient. ⺠The rm2(rank) metric may be used as an additional tool for validation of QSAR models.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Kunal Roy, Indrani Mitra, Probir Kumar Ojha, Supratik Kar, Rudra Narayan Das, Humayun Kabir,