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Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method

The three-dimensional structures of biological macromolecules such as proteins and nucleic acids are crucial for understanding their functions. These structures can be determined experimentally using X-ray crystallography,...

Predicting non-responders to lifestyle intervention in prediabetes: a machine learning approach

Sources of data and participantsThe database used for developing the predictive algorithm was the International Center for the Assessment of Nutritional Status (ICANS, University of Milan, Milan,...

sChemNET: a deep learning framework for predicting small molecules targeting microRNA function

sChemNET: a deep learning framework for predicting drug targets in the presence of sparse and small-size chemical datasetsWe developed a deep-learning predictive model that incorporates information about...

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