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Alignment-independent technique for 3D QSAR analysis
Molecular biochemistry is controlled by 3D phenomena but structure–activity models based on 3D descriptors are infrequently used for large data sets because of the computational overhead for determining molecular conformations. A diverse dataset of 146 androgen receptor binders was used to investiga...
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| Pubblicato in: | J Comput Aided Mol Des |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Springer International Publishing
2016
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4833814/ https://ncbi.nlm.nih.gov/pubmed/27026022 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9909-0 |
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