A topological sub-structural approach for predicting human intestinal absorption of drugs

The human intestinal absorption (HIA) of drugs was studied using a topological sub-structural approach (TOPS-MODE). The drugs were divided into three classes according to reported cutoff values for HIA. “Poor” absorption was defined as HIA ≤30%, “high” absorption as HIA ≥80%, whereas “moderate” abso...

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Bibliographic Details
Published in:European journal of medicinal chemistry 2004-11, Vol.39 (11), p.905-916
Main Authors: Pérez, Miguel Angel Cabrera, Sanz, Marival Bermejo, Torres, Liliana Ramos, Ávalos, Ricardo Grau, González, Maykel Pérez, Díaz, Humberto González
Format: Article
Language:English
Subjects:
Biological and medical sciences
Biological Availability
Discriminant analysis
Humans
In silico
Intestinal Absorption
Intestinal Mucosa - metabolism
Medical sciences
Miscellaneous
Models, Theoretical
Pharmaceutical Preparations - metabolism
Pharmacology. Drug treatments
Quantitative Structure-Activity Relationship
Sub-structural approach
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Summary:The human intestinal absorption (HIA) of drugs was studied using a topological sub-structural approach (TOPS-MODE). The drugs were divided into three classes according to reported cutoff values for HIA. “Poor” absorption was defined as HIA ≤30%, “high” absorption as HIA ≥80%, whereas “moderate” absorption was defined between these two values (30% 
ISSN:0223-5234
1768-3254
DOI:10.1016/j.ejmech.2004.06.012