QikProp protocols

QikProp specifications


Unique identifier OMICS_15637
Name QikProp
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Windows
License Commercial
Computer skills Medium
Stability Stable
Maintained Yes


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QikProp IN pipelines

PMCID: 4443793
PMID: 25262799
DOI: 10.2174/1568026614666140929124445

[…] finally, a post-processing step is imposed to the top-scoring compounds by using chembioserver [58] and faf-drugs2 [60] filtering tools as well as pharmacological property prediction with the qikprop software [124]. the workflow of this protocol is shown in fig. (4)., for decades, drug discovery was carried out using trial and error experimental techniques for screening large libraries […]

PMCID: 3880490
PMID: 24366428
DOI: 10.1007/s10822-013-9698-7

[…] workflow [44] was used to select chemical structures resulting from shape signature screening of the zinc database (hits) or the full set of decoys downloaded from the dud web-site. we used the qikprop [45] tool to estimate physicochemical properties of chemical structures before filtering by the lipinski’s rule-of-5 [46] (log p < 5; kda < 5; hb donors ≤ 5; hb acceptors ≤ 10) […]

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