Table 15 Comparison of actual and predicted drug response values for EV.

From: Graph theoretic and machine learning approaches in molecular property prediction of bladder cancer therapeutics

Index

Equation

\(S_1\)

S1

S2

S3

S4

S5

S6

S7

S8

S9

S10

S11

S12

S13

S14

S15

S16

Actual

EV

91.1

79.4

110.4

79.7

85.8

98.3

92.8

83.4

110.3

57.9

98.2

137.1

146

132.1

87

97.4

86.2

\(M_1\)

Linear

81.4

81.4

106.3

97.0

93.3

92.3

95.9

91.2

106.8

71.0

77.2

139.0

144.2

126.5

91.2

99.0

79.3

Cubic

81.8

81.8

105.1

95.7

92.3

91.3

94.7

90.4

105.7

74.3

78.6

140.3

145.8

126.8

90.4

97.8

80.2

\(M_2\)

Linear

82.2

82.4

106.0

94.9

93.1

91.6

95.3

89.9

104.5

70.9

77.8

140.0

145.5

126.5

94.5

97.9

80.1

Cubic

82.1

82.3

105.9

94.4

92.6

91.1

94.9

89.5

104.4

72.6

78.3

140.6

145.3

127.4

94.0

97.4

80.3

H

Linear

79.5

79.6

107.8

98.1

94.4

95.2

96.6

96.8

112.4

72.3

76.1

133.5

141.7

124.7

86.2

101.6

76.7

Cubic

81.3

81.4

104.4

94.1

90.6

91.3

92.6

92.8

110.0

79.9

80.3

137.7

148.1

125.9

84.6

97.5

80.5

F

Linear

82.5

82.5

104.6

96.5

92.8

90.1

94.7

88.5

102.9

72.7

78.7

142.1

144.6

126.8

94.2

96.8

82.1

Cubic

82.2

82.2

105.2

96.6

92.7

90.0

94.8

88.3

103.4

72.7

78.5

141.7

143.7

127.9

94.2

97.0

81.8

SS

Linear

80.8

80.9

107.3

97.1

93.6

93.8

96.5

93.2

109.0

70.6

76.5

136.8

143.6

125.8

89.6

100.2

77.8

Cubic

81.6

81.6

105.3

94.9

91.7

91.9

94.4

91.4

107.1

75.9

78.9

139.1

147.1

126.2

88.3

98.0

79.7

ABC

Linear

80.7

80.6

106.4

98.4

93.8

93.2

96.3

93.1

109.3

71.4

76.8

137.3

143.0

126.1

88.3

100.1

78.4

Cubic

81.7

81.7

104.1

96.2

92.0

91.5

94.3

91.4

107.1

76.1

79.2

139.6

146.8

126.0

87.4

97.8

80.2

RI

Linear

79.7

79.7

107.0

98.4

94.4

94.1

96.2

95.6

111.5

72.4

76.5

135.0

142.0

125.5

86.7

100.9

77.5

Cubic

81.4

81.5

103.8

95.0

91.3

91.1

93.0

92.4

108.9

79.0

80.1

138.5

147.6

126.3

85.4

97.4

80.5

SC

Linear

80.0

80.1

107.5

98.0

94.1

94.5

96.6

95.2

111.1

71.6

76.2

135.0

142.4

125.2

87.3

101.0

77.2

Cubic

81.4

81.4

104.5

94.8

91.2

91.6

93.4

92.2

108.7

78.2

79.7

138.4

147.7

125.9

85.8

97.8

80.1

SA

Linear

80.4

80.4

107.7

97.5

93.8

94.6

96.7

94.6

110.5

70.9

76.1

135.3

142.9

125.2

88.2

100.9

77.1

Cubic

81.4

81.5

105.2

94.6

91.3

92.0

93.9

92.0

108.3

77.4

79.3

138.4

147.7

125.8

86.7

98.0

79.7

HZ

Linear

82.3

82.4

105.3

95.8

92.9

90.8

95.0

89.1

103.6

71.9

78.3

141.2

145.0

126.7

94.3

97.3

81.2

Cubic

82.2

82.3

105.6

95.6

92.7

90.5

94.8

88.9

103.8

72.6

78.4

141.2

144.5

127.7

94.1

97.2

81.1