Conformation-Independent Chirality Code

In most common chiral molecules, chirality arises from chiral tetravalent atoms. A conformation-independent chirality code (CICC) was developed that encodes the molecular chirality originating from a chiral tetravalent atom [42], For more generality, a conformation-dependent chirality code (CDCC) is used [43]. CDCC ti cats a molecule as a rigid set of points (atoms) linked by bonds, and it accounts for chirality generated by chirality centers, chirality axes, or chirality planes. 

The conformational-independent chirality code face is a modification of the radial distribution junction code g(R) to account for chirality ... 

Tutorial Conformation-Independent and Conformation-Dependent Chirality Codes [34]... 

The two values, e and s, calculated for all the combinations of four atoms (each one sampled from a different ligand of a chiral center) are then combined to generate a conformation-independent ckirality code, fcjcC rising Eq. (28). 

The conformation-dependent chirality code constitutes a more general description of molecular chirality, which is formally comparable with the CICC [43], The main difference is that chiral carbon atoms arc now not explicitly considered, and combinations of any four atoms are now used, independently of the existence or nonexistence of chiial centers, and of their belonging or not belonging to ligands of chiral centers. 

Conformational-Independent Chirahty Code chirality descriptors ( Chirality Codes) conformational invariance molecular descriptors (0 invariance properties of molecular... 

In order to consider the 3D structure but make the chirality code independent of a specific conformer, r- is taken as the sum of the bond lengths between atoms i and j on the path with a minimum number of bond counts. 

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