... differentpurposes.When a mathematical invariant is calculated from a specific representation scheme, only a partial character-ization from the chemical structure can be achievedbecause only a part of the chemical ... Marrero-Ponce Y, Castillo-Garit JA, Olazabal E,Serrano HS, Morales A, Castanedo N, Ibarra-VelardeF, Huesca-Guillen A, Jorge E, del Valle A et al. (2004)TOMOCOMD-CARDD, a novel approach for com-puter-aided ... information and better characteriza-tion is therefore necessary [22].Marrero-Ponce et al. [23–25] have recently appliedlinear and quadratic forms on Rnto calculate graph–theoretical invariants...