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ViSNet: A general molecular geometry modeling framework for predicting molecular properties and simulating molecular dynamics
Microsoft Research www.microsoft.com
Molecular geometry modeling is a powerful tool for understanding the intricate relationships between molecular structure and biological activity – a field known as structure-activity relationships (SAR). The main premise of SAR is that the biological activity of a molecule is dictated by its specific chemical structure, not only the connections between nuclei but also how […]
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