Descriptor-based Fitting of LPA3 Inhibitors into a Single Predictive Mathematical Model
Sixty six diverse compounds previously reported as Lysophosphatidic Acid Receptor (LPA3) inhibitors have been used to derive a mathematical model based on partial least square (PLS) clustering of 41 molecular descriptors and pIC50 values. The pre- and post- cross-validated correlation coefficient (R...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Bulgarian Academy of Sciences, Institute of Mathematics and Informatics
2014-10-01
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| Series: | Biomath |
| Subjects: | |
| Online Access: | http://www.biomathforum.org/biomath/index.php/biomath/article/view/181 |