Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1397817 | European Journal of Medicinal Chemistry | 2010 | 11 Pages |
Abstract
A neural model based on a numerical molecular representation using CODES® program to predict oral absorption of any structure is described. This model predicts both high and low-absorbed compounds with a global accuracy level of 74%. CODES/ANN methodology shows promising utilities not only as a conventional in silico tool in high-throughput screening or improvement of absorption capabilities procedures but also the improvement of in vitro–in vivo correlation could be addressed.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
A. Guerra, N.E. Campillo, J.A. Páez,