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15 lines
541 B
15 lines
541 B
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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