An In Silico Approach for Evaluating a Fraction-Based, Risk Assessment Method for Total Petroleum Hydrocarbon Mixtures

Figure 3

Hierarchical cluster analysis based on CoMFA for all aromatic fractions. Proposed surrogate or component chemicals are shown in bold and with asterisks. DBalP: Dibenzo[a,l]pyrene, BlAC: Benzo[l]aceanthrylene, IP: Indeno[1,2,3-c,d]pyrene, FA: Fluoranthene, CPcdP: Clclopenta[c,d]pyrene, DBacA: Dibenzo[a,c]anthracene, BbcAC: 11H-Benzo[b,c]aceanthrylene, AA: Anthanthrene, DBahA: Dibenzo[a,h]anthracene, BjAC: Benzo[j]aceanthrylene, BeAC: Benzo[e]aceanthrylene, BjF: Benzo[j]fluoranthene, BaA: Benzo[a]anthracene, N23eP: Naphtho[2,3-e]pyrene, BghiP: Benzo[g,h,i]perylene, Pyr: Pyrene, PH: Phenanthrene, AC: Anthracene, DBaiP: Dibenzo[a,i]pyrene, DBahP: Dibenzo[a,h]pyrene, DBaeF: Dibenzo[a,e]fluoranthene, DBaeP: Dibenzo[a,e]pyrene, BkF: Benzo[k]fluoranthene, BbF: Benzo[b]fluoranthene, BaP: Benzo[a]pyrene, CH: Chrysene, 4H-CPdefC: 4H-Cyclopenta[d,e,f]chrysene.