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16 lines
541 B
16 lines
541 B
2 years ago
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import random
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def gerar_smiles_molecula():
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simbolos_atomos = ['H', 'C', 'N', 'O', 'F', 'P', 'S', 'Cl']
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comprimento_molecula = random.randint(5, 15) # Determina o comprimento do SMILES da molécula
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smiles = ''
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for _ in range(comprimento_molecula):
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simbolo = random.choices(simbolos_atomos, weights=[0.2, 0.3, 0.1, 0.1, 0.05, 0.05, 0.05, 0.1])[0]
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smiles += simbolo
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return smiles
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smiles_molecula = gerar_smiles_molecula()
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print("SMILES da molécula de grande energia gerada: ", smiles_molecula)
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