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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 |
| Publicado: |
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 |
| _version_ | 1782199431492272128 |
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| author | Cramer, Richard D. |
| author_facet | Cramer, Richard D. |
| author_sort | Cramer, Richard D. |
| collection | PubMed |
| description | 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 adjacent to intended structural change. |
| format | Text |
| id | pubmed-3051061 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2010 |
| publisher | Springer Netherlands |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30510612011-04-05 Rethinking 3D-QSAR Cramer, Richard D. J Comput Aided Mol Des Perspective 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 adjacent to intended structural change. Springer Netherlands 2010-11-26 2011-03 /pmc/articles/PMC3051061/ /pubmed/21110063 http://dx.doi.org/10.1007/s10822-010-9403-z Text en © Springer Science+Business Media B.V. 2010 |
| spellingShingle | Perspective Cramer, Richard D. Rethinking 3D-QSAR |
| title | Rethinking 3D-QSAR |
| title_full | Rethinking 3D-QSAR |
| title_fullStr | Rethinking 3D-QSAR |
| title_full_unstemmed | Rethinking 3D-QSAR |
| title_short | Rethinking 3D-QSAR |
| title_sort | rethinking 3d-qsar |
| topic | Perspective |
| url | 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 |
| work_keys_str_mv | AT cramerrichardd rethinking3dqsar |