State-of-the-art in ligand-based virtual screening
Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry, and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of currently available ligand-based virtual screening applications. We formulate several scientific quality criteria for prosp...
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| Veröffentlicht in: | Drug discovery today 2011-05, Vol.16 (9), p.372-376 |
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| container_title | Drug discovery today |
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| creator | Ripphausen, Peter Nisius, Britta Bajorath, Jürgen |
| description | Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry, and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of currently available ligand-based virtual screening applications. We formulate several scientific quality criteria for prospective ligand-based virtual screens and analyze, in detail, the information provided by currently available peer-reviewed publications. The results presented herein provide a detailed view of the current state-of-the-art in this field and point at several problematic issues but also opportunities for further advances. |
| doi_str_mv | 10.1016/j.drudis.2011.02.011 |
| format | Article |
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| fulltext | fulltext |
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| ispartof | Drug discovery today, 2011-05, Vol.16 (9), p.372-376 |
| issn | 1359-6446 1878-5832 |
| language | eng |
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| source | MEDLINE; ScienceDirect Journals (5 years ago - present) |
| subjects | Biological and medical sciences Chemistry, Pharmaceutical - methods Drug Discovery - methods General pharmacology Libraries, Digital Ligands Medical sciences Pharmaceutical technology. Pharmaceutical industry Pharmacology. Drug treatments |
| title | State-of-the-art in ligand-based virtual screening |
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