## 3 Results
\begin{table}
\begin{tabular}{c c c} \hline \hline \(\delta^{\
u}\)**-Type** & **ANN-MLP** & **(Variables) \(\rightarrow\) Property** \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{po}}(1)\)} & 6-1-1 & \multirow{4}{*}{\((^{0}\chi_{\chi},\text{D}^{\
u},^{0}\psi_{\text{L}},^{1}\psi_{\text{L}},^{0}\psi_{\text{E}}, \text{T}_{\Sigma/M})\rightarrow\text{T}_{\text{b}}\)} \\  & (e, 1) * & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{5}\)} & 41 & (30.67, 34.22, 41.80, 1.111, 15.76, 2.291) \\  & 0.005/0.003 & N(36 TR + 9 TE) = 45, \(r^{2}\) = 0.850, s = 21; N(+16 EV) = 61 \(r^{2}\) = 0.820, s = 23 \\ \cline{1-1} \cline{2-3}  & & Excluded outlier: dMe-Ether \& SO\({}_{2}\) \(\in\) [EV] \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{po}}(50)\)} & 6-1-1 & \multirow{4}{*}{\((^{1}\chi_{\chi},\text{D}^{\
u},^{0}\chi^{\
u},^{1}\psi_{\text{L}},^{0}\psi_{\text{E}}, \text{T}_{\Sigma/M})\rightarrow\mu\)} \\  & (e, s) & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{3}\)} & 8 & (1.209, 1.091, 3.028, 1.108, 1.440, 6.964) \\  & 0.004/0.002 & N(34 TR + 9 TE) = 43, \(r^{2}\) = 0.871, s = 3,8; N(+16 EV) = 59, \(r^{2}\) = 0.793, s = 5.1 \\ \cline{1-1} \cline{2-3}  & Exclut.: ethylencarbonate \& quinoline \(\epsilon\) [TR], formamide \& acetone \(\in\) [EV]. \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{prop}}(-0.5)\)} & 5-1-1 & \multirow{4}{*}{\((^{0}\chi_{\chi},\text{D}^{\
u},^{0}\chi^{\
u},^{0}\psi_{\text{E}},\Delta) \rightarrow\text{d}\)} \\  & (t, t) & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{3}\)} & 33 & (17.99, 8.653, 2.953, 41.31, 12.37) \\  & 0.002/0.0006 & N(36 TR + 9 TE) = 45, \(r^{2}\) = 0.956, s = 0.1; N(+15 EV) = 60, \(r^{2}\) = 0.930, s = 0.1 \\ \cline{1-1} \cline{2-3}  & Excluded outliers: MeCl \& MeOH \(\in\) [EV] \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{prop}}(-0.5)\)} & 6-1-1 & \multirow{4}{*}{\((^{0}\chi_{\chi},\text{D}^{\
u},^{0}\chi^{\
u},^{0}\psi_{\text{E}},\Delta, \text{T}_{\Sigma/M})\rightarrow\text{RI}\)} \\  & (i, i) & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{3}\)} & 20 & (78.50, 212.9, 286.4, 356.0, 9.482, 1.603) \\  & 0.001/0.0001 & N(35 TR + 10 TE) = 45, \(r^{2}\) = 0.959, s = 0.03; N(+14 EV) = 59, \(r^{2}\) = 0.943, s = 0.04 \\ \cline{1-1} \cline{2-3}  & Excluded outliers: formamide \& MeOH \(\in\) [EV] \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{prop}}(-0.5)\)} & 5-1-1 & \multirow{4}{*}{\((^{1}\chi_{\chi},\text{D}^{\
u},^{0}\chi^{\
u},^{0}\psi_{\text{E}},\Delta, \text{T}_{\Sigma/M})\rightarrow\text{RI}\)} \\  & (e, t) & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{5}\)} & 27 & (9.086, 34.48, 34.44, 45.45, 2.328) \\  & 0.005/0.006 & N(22 TR + 7 TE) = 29, \(r^{2}\) = 0.841, s = 2.8; N(+10 EV) = 39, \(r^{2}\) = 0.705, s = 3.7 \\ \cline{1-1} \cline{2-3}  & Excluded outlier: nitromethane \& formamide \(\in\) [EV] \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{prop}}(0.5)\)} & 5-1-1 & \multirow{4}{*}{\((^{1}\chi_{\chi},\text{D}^{\
u},^{0}\chi^{\
u},^{0}\psi_{\text{E}}, \Delta,\text{T}_{\Sigma/M})\rightarrow\text{RI}\)} \\  & (e, s) & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{3}\)} & 18 & (317.2, 43.27, 17.80, 26.95, 8.546) \\  & 0.002/0.003 & N(19 TR + 5 TE) = 24, \(r^{2}\) = 0.926, s = 0.4; N(+9 EV) = 33, \(r^{2}\) = 0.768, s = 0.7 \\ \cline{1-1} \cline{2-3}  & Excluded outliers: formamide \& MeOH \(\in\) [EV] \\ \hline \multirow{4}{*}{\(\delta^{\
u}_{\text{prop}}(-0.5)\)} & 5-1-1 & \multirow{4}{*}{\((^{0}\chi_{\chi},\text{D}^{\
u},^{0}\chi^{\
u},^{0}\psi_{\text{E}},\Delta, \text{T}_{\Sigma/M})\rightarrow\text{RI}\)} \\  & (e, s) & \\ \cline{1-1} \cline{2-3} \multirow{2}{*}{Ntr = 10\({}^{3}\)} & 18 & (317.2, 43.27, 17.80, 26.95, 8.546) \\  & 0.002/0.003 & N(19 TR + 5 TE) = 24, \(r^{2}\) = 0.926, s = 0.4; N(+9 EV) = 33, \(r^{2}\) = 0.768, s = 0.7 \\ \cline{1-1} \cline{2-3}  & Excluded outliers: formamide \& MeOH \(\in\) [EV] \\ \hline \hline \end{tabular}
\end{table} 
Table 5: ANN results with descriptors of Table 4 with one hidden neuron.