Freely available conformer generation methods: how good are they?
Conformer generation has important implications in cheminformatics, particularly in computational drug discovery where the quality of conformer generation software may affect the outcome of a virtual screening exercise. We examine the performance of four freely available small molecule conformer gen...
| Autors principals: | , , |
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| Format: | Journal article |
| Idioma: | English |
| Publicat: |
2012
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