title: Prediction of Druggable Proteins Using Machine Learning and Systems Biology: A Mini-Review.
abstract: The emergence of -omics technologies has allowed the collection of vast amounts of data on biological systems. Although, the pace of such collection has been exponential, the impact of these data remains small on many critical biomedical applications such as drug development. Limited resources, high costs, and low hit-to-lead ratio have led researchers to search for more cost effective methodologies. A possible alternative is to incorporate computational methods of potential drug target prediction early during drug discovery workflow. Computational methods based on systems approaches have the advantage of taking into account the global properties of a molecule not limited to its sequence, structure or function. Machine learning techniques are powerful tools that can extract relevant information from massive and noisy data sets. In recent years the scientific community has explored the combined power of these fields to propose increasingly accurate and low cost methods to propose interesting drug targets. In this mini-review, we describe promising approaches based on the simultaneous use of systems biology and machine learning to access gene and protein druggability. Moreover, we discuss the state-of-the-art of this emerging and interdisciplinary field, discussing data sources, algorithms and the performance of the different methodologies. Finally, we indicate interesting avenues of research and some remaining open challenges.
authors.affiliation: Department of Electrical and Computer Engineering, Iowa State University Ames, IA, USA.
authors.forename: Gaurav
authors.initials: G
authors.lastname: Kandoi
authors.affiliation: Department of Physics and Biophysics, Institute of Biosciences of Botucatu, UNESP - São Paulo State University Botucatu, Brazil.
authors.forename: Marcio L
authors.initials: ML
authors.lastname: Acencio
authors.affiliation: Department of Physics and Biophysics, Institute of Biosciences of Botucatu, UNESP - São Paulo State University Botucatu, Brazil.
authors.forename: Ney
authors.initials: N
authors.lastname: Lemke
keywords: drug targets; druggability; machine learning; network topology; review; sequence properties; structural properties; systems biology