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Desenvolvimento de um filtro de descritores moleculares geométricos para gerar um ranqueamento em banco de dados de ligantes

Quevedo, Christian Vahl
Repositório PUCRS · Papers
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informática
Public databases provide currently over 20 million ligands to users. In contrast, testing in silico with such a high volume of data is computationally very expensive, which demands the development of new solutions for reducing the number of ligands to be tested on their target receptors. However, th
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