Prachayasittikul14-06

Se le ct iv ity In de x (S I) .2 .4 .6 .8 1.0 1.2 .2 .4 .6 .8 1.0 1.2 Experimental Selectivity Index (SI) Pr ed ic te d Se le ct iv ity In de x (S I) .2 .4 .6 .8 1.0 1.2 157 Acknowledgements: Financial [...] Connectivity indices 33 5 Information indices 47 6 2D autocorrelations 96 7 Edge adjacency indices 107 8 Burden eigenvalue descriptors 64 9 Topological charge indices 21 10 Eigenvalue-based indices 44 11 Randic [...] chemical descriptors was pre-processed according to Baggiani et al. (Baggiani et al., 2004) by removing 8 variables to obtain a “minimum dimensionality model” that gave the same level of performance as the …