SEARCH Articles Figures Tables Atom counts, molecular descriptor Atom environment descriptor Atom shape descriptor Atom-Specific RDF Descriptors Atom-based descriptors Atom-based topological descriptors Atom-pair descriptor Atom-specific descriptor From the View of an Atom — Local and Restricted RDF Descriptors Geometric atom-pair descriptors Molecular descriptor hydrogen-bonding donor atoms Molecular descriptors atom-pair Molecular descriptors atomic partial charges Scales and Periodicity by Atomic Size Related Descriptors Structural descriptors hydrogen-bonding donor atoms Transferable atom equivalents descriptors