Fig. 4: Examples of chemical and topological featurizers in PolyMetriX.
From: PolyMetriX: an ecosystem for digital polymer chemistry
Chemical featurizers include attributes such as the number of rings, rotatable bonds, heteroatoms, and hybridization states. Topological featurizers describe the connectivity of the polymer via properties like the number of side chains, backbone atom count, diverse side chain count, and side chain length. The diverse side chain count represents the number of structurally distinct side chains in a polymer.
