{"data":{"id":73,"name":"CQikProp","abbreviation":"CQikProp","description":"<p style=\"text-align:justify\"><strong>QikProp&nbsp;<\/strong>predicts the widest variety of pharmaceutically relevant properties - octanol\/water and water\/gas log Ps, log S, log BB, overall CNS activity, Caco-2 and MDCK cell permeabilities, log Khsa for human serum albumin binding, and log IC50 for HERG K+-channel blockage - so that decisions about a molecule&#39;s suitability can be made based on a thorough analysis.&nbsp;QikProp bases its predictions on the full 3D molecular structure; unlike fragment-based approaches, QikProp can provide equally accurate results in predicting properties for molecules with novel scaffolds as for analogs of well-known drugs.&nbsp;QikProp computes over twenty physical descriptors, which can be used to improve predictions by fitting to additional or proprietary experimental data, and to generate alternate QSAR models.<\/p>\r\n","categories":[{"id":10,"title":"QSAR","breadcrumb":[{"id":5,"title":"Computed"},{"id":10,"title":"QSAR"}]}],"url":"https:\/\/molmedb.upol.cz\/api\/v1\/methods\/73","landing_page":"https:\/\/molmedb.upol.cz\/method\/73","created_at":"2020-11-11T10:56:54.000000Z","updated_at":"2020-11-11T10:56:54.000000Z"}}