Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition—In silico approach

•QSAR models for ROCK inhibitory action of urea derivates were developed.•Monte Carlo method with SMILES notation and molecular graph descriptors was used.•Different methods were applied for the determination of the robustness of the model.•Molecular fragments with influence on inhibitory action were determined.•Presented study can be useful in the search for novel cardiovascular therapeutics.