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Development and implementation of (Q)SAR modeling within the CHARMMing Web-user interface
Recent availability of large publicly accessible databases of chemical compounds and their biological activities (PubChem, ChEMBL) has inspired us to develop a Web-based tool for SAR and QSAR modeling to add to the services provided by CHARMMing (www.charmming.org). This new module implements some o...
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| Vydáno v: | J Comput Chem |
|---|---|
| Hlavní autoři: | , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2014
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4244250/ https://ncbi.nlm.nih.gov/pubmed/25362883 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23765 |
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