Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning

Predicting compounds with single- and multi-target activity and exploring origins of compound specificity and promiscuity is of high interest for chemical biology and drug discovery. We present a large-scale analysis of compound promiscuity including two major components. First, high-confidence data...

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Bibliographic Details
Main Authors: Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Biomolecules
Subjects:
Online Access:https://www.mdpi.com/2218-273X/10/12/1605