Aliphatic ring count: number of those rings in the molecule that have non-aromatic bonds (SSSR based).
Aromatic ring count: number of aromatic rings in the molecule. This number is calculated from the smallest set of smallest aromatic rings (SSSAR), which might contain rings which are not part of the standard SSSR ring set. As a consequence, the sum of the aliphatic ring count and the aromatic ring count can sometimes be greater than the ring count value. The difference is the signal of a macroaromatic ring system.
Carbo ring count: number of rings containing only carbon atoms.
Carboaliphatic ring count: number of aliphatic rings containing only carbon atoms.
Carbooaromatic ring count: number of aromatic rings containing only carbon atoms (SSSAR based).
Fused aliphatic ring count: number of aliphatic rings having common bonds with other rings.
Fused aromatic ring count: number of aromatic rings having common bonds with other rings.
Fused ring count: number of fused rings in the molecule (having common bonds).
Hetero ring count: number of rings containing hetero atom(s).
Heteroaliphatic ring count: number of aliphatic heterocycles in the molecule.
Heteroaromatic ring count: number of aromatic heterocycles in the molecule.
Largest ring size: size of the largest ring in the molecule.
Largest ring system size: number of rings in the largest ring system.
Ring count: number of rings in the molecule. This calculation is based on SSSR (Smallest Set of Smallest Rings).
Ring system count: number of disjunct ring systems.
Smallest ring size: size of the smallest ring in the molecule.
Smallest ring system size: number of rings in the smallest ring system.

Topology Analysis

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Chemical_data_for_machine_learning