How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models
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- How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models
Submitted manuscript, 314 KB, PDF document
| Original language | English |
|---|---|
| Journal | Journal of Computer - Aided Molecular Design |
| Volume | 24 |
| Issue number | 1 |
| Pages (from-to) | 17-22 |
| Number of pages | 6 |
| ISSN | 0920-654X |
| DOIs | |
| Publication status | Published - 2010 |
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ID: 32904116