Estimation of the applicability domain of kernel-based machine learning models for virtual screening
<p>Abstract</p> <p>Background</p> <p>The virtual screening of large compound databases is an important application of structural-activity relationship models. Due to the high structural diversity of these data sets, it is impossible for machine learning based QSAR model...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2010-03-01
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| Series: | Journal of Cheminformatics |
| Online Access: | http://www.jcheminf.com/content/2/1/2 |