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The Monte Carlo method was used for QSAR modelling 2,4-dihydro-3H-1,2,4-triazol-3-ones derivatives as angiotensin II AT1 receptor antagonists. QSAR models were calculated with the representation of the molecular structure by the simplified molecular input-line entry system (SMILES) and with optimal molecular descriptors based on the SMILES notation and local graph invariants. One random split into...
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