| pubmed-article:21309579 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:21309579 | lifeskim:mentions | umls-concept:C0220908 | lld:lifeskim |
| pubmed-article:21309579 | lifeskim:mentions | umls-concept:C1553497 | lld:lifeskim |
| pubmed-article:21309579 | lifeskim:mentions | umls-concept:C1548174 | lld:lifeskim |
| pubmed-article:21309579 | lifeskim:mentions | umls-concept:C1706076 | lld:lifeskim |
| pubmed-article:21309579 | pubmed:issue | 5 | lld:pubmed |
| pubmed-article:21309579 | pubmed:dateCreated | 2011-3-3 | lld:pubmed |
| pubmed-article:21309579 | pubmed:abstractText | We present a probabilistic framework for interpreting structure-based virtual screening that returns a quantitative likelihood of observing bioactivity and can be quantitatively combined with ligand-based screening methods to yield a cumulative prediction that consistently outperforms any single screening metric. The approach has been developed and validated on more than 30 different protein targets. Transforming structure-based in silico screening results into robust probabilities of activity enables the general fusion of multiple structure- and ligand-based approaches and returns a quantitative expectation of success that can be used to prioritize (or deprioritize) further discovery activities. This unified probabilistic framework offers a paradigm shift in how docking and scoring results are interpreted, which can enhance early lead-finding efforts by maximizing the value of in silico computational tools. | lld:pubmed |
| pubmed-article:21309579 | pubmed:language | eng | lld:pubmed |
| pubmed-article:21309579 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:21309579 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:21309579 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:21309579 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:21309579 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:21309579 | pubmed:month | Mar | lld:pubmed |
| pubmed-article:21309579 | pubmed:issn | 1520-4804 | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:PatelHetalH | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:HajdukPhilip... | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:MuchmoreSteve... | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:BrownScott... | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:MertaPhilipP | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:SwannSteven... | lld:pubmed |
| pubmed-article:21309579 | pubmed:author | pubmed-author:LocklearJohnJ | lld:pubmed |
| pubmed-article:21309579 | pubmed:issnType | Electronic | lld:pubmed |
| pubmed-article:21309579 | pubmed:day | 10 | lld:pubmed |
| pubmed-article:21309579 | pubmed:volume | 54 | lld:pubmed |
| pubmed-article:21309579 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:21309579 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:21309579 | pubmed:pagination | 1223-32 | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:meshHeading | pubmed-meshheading:21309579... | lld:pubmed |
| pubmed-article:21309579 | pubmed:year | 2011 | lld:pubmed |
| pubmed-article:21309579 | pubmed:articleTitle | A unified, probabilistic framework for structure- and ligand-based virtual screening. | lld:pubmed |
| pubmed-article:21309579 | pubmed:affiliation | Global Pharmaceutical Research and Development, Abbott Laboratories, 100 Abbott Park Road, Abbott Park, Illinois 60064, United States. | lld:pubmed |
| pubmed-article:21309579 | pubmed:publicationType | Journal Article | lld:pubmed |
