A comparison between 2D and 3D descriptors in QSAR modeling based on bio‐active conformations
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DOI: 10.1002/minf.202200186
Abstract: QSAR models are widely and successfully used in many research areas. The success of such models highly depends on molecular descriptors typically classified as 1D, 2D, 3D, or 4D. While 3D information is likely important,… read more here.
Keywords: descriptors qsar; qsar modeling; modeling based; bio active ... See more keywords