Classification of nervous system withdrawn and approved drugs with ToxPrint features via machine learning strategies

The drug discovery and development are difficult processes because they are comprehensive, expensive, time-consuming and have full risks from novel drug targets to U.S. Food and Drug Administration (FDA) approved drug to marketing of a novel molecular entity [1]. In order to identify potantially inappropriate molecules from a compound library, computer-aided drug design based on the molecular descriptors derived from compound structures is developed and applied in the early drug discovery process [2].

Source: Computer Methods and Programs in Biomedicine - February 7, 2017 Category: Bioinformatics Authors: Aytun Onay, Melih Onay, Osman Abul Source Type: research