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ID: ALA1157012
Journal: Eur J Med Chem
Title: Neural computational prediction of oral drug absorption based on CODES 2D descriptors.
Authors: Guerra A, Campillo NE, Páez JA.
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.
CiteXplore: 20022146