Table 9 Actual and predicted values for molar entropy(S).

From: DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression

Name of drug

Actual S

Molar entropy computed from regression models

Linear

Quad.

Cubic

Gemcitabine

132.778

129.456

128.4528

125.5442734

Cytrabine

123.281

126.726

126.2076

125.0678799

Fludarabine

133.888

137.478

135.3994

130.2151496

Capcitabine

177.444

176.706

176.8668

167.8367788

Clofarabine

135.036

137.562

135.4749

129.6847693

Alteramine

125.730

120.762

121.5123

123.026616

Dacarbazine

115.592

116.898

118.6238

115.0777352

Mechlorethamine

103.957

109.044

113.1251

61.56598

Carmustine

117.348

115.386

117.5265

105.502