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Rethinking 3D-QSAR
The average error of pIC50 prediction reported for 140 structures in make-and-test applications of topomer CoMFA by four discovery organizations is 0.5. This remarkable accuracy can be understood to result from a topomer pose’s goal of generating field differences only at lattice intersections adjac...
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| Formato: | Texto |
| Lenguaje: | English |
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Springer Netherlands
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051061/ https://www.ncbi.nlm.nih.gov/pubmed/21110063 http://dx.doi.org/10.1007/s10822-010-9403-z |