Background: Parkinson's disease is an attractive model to extend research towards a better understanding of the interrelationship between genes and environment (exposome) therefore ideal for polypharmacological approach due its clinical heterogeneity. Methods: In this paper, we present series chemical scaffolds extracted from ChEMB...

Abstract Rational drug design deals with computational methods to accelerate the development of new drugs. Among other tasks, it is necessary analyze huge databases small molecules. Since a direct relationship between structure these molecules and their effect (e.g., toxicity) can be assumed in many cases, wide set based on modeling as graphs attributes. Here, we discuss our results concerning ...