I was able to create an interactive app on Mathematica using the Manipulate function. The code uses 4 chemical descriptors (Atom Count, Molecular Mass, Radius of Gyration, and Plane of Best Fit Distance) to calculate the property Molecular Surface Area. This app makes it so you can type values for each descriptor in a text box to receive the predicted Molecular Surface Area made through the machine learning algorithm. Find the described app attached below:
Framed[Manipulate[
ToString[pred2o[{atomCount, molecularMass, radiusOfGyration,
planeOfBestFitDistance}]],
Style["Biomolecules Molecular Surface Area Calculator", 14, Bold,
Orange],
Delimiter, {{atomCount, 20, "Atom Count"}, 2,
120}, {{molecularMass, 146, "Molecular Mass"}, 26.038`,
822.942`}, {{radiusOfGyration, 2.5, "Radius of Gyration"},
0.22462`,
10.7024`}, {{planeOfBestFitDistance, 0.55,
"Plane of Best Fit Distance"}, 0.`, 1.22643`},
ControlType -> InputField, SaveDefinitions -> True,
ControlPlacement -> Left, Paneled -> False], FrameMargins ->
5, Background -> Lighter[Gray, 0.9]]
The issue with this is that this code is only interactive when I run it on my notebook with the defined variables for everything. I am looking for a way to make this app useable on the Wolfram Cloud using the CloudDeploy function. I am unsure how to do this and I believe it does not work because the predictor function is not defined in the line of code (https://www.wolframcloud.com/obj/98a3405b-5ec1-48bd-9377-101c7ed8c756). I am unsure how to fix this so if anyone can assist with this, please let me know. I have attached the code for the predictor function and a sample of the training set.
pred2o = Predict[trainingSet1, Method -> "NeuralNetwork"]
RandomSample[trainingSet1, 100]
{{12, 90.078, 1.72086, 0.539065} ->
43.8223, {13, 102.089, 1.82591, 0.277664} ->
49.7005, {18, 158.156, 2.36301, 0.00656653} ->
77.9486, {22, 179.175, 3.05232, 0.207595} ->
87.9828, {9, 68.079, 1.24345, 6.15254*10^-6} ->
35.5382, {14, 144.557, 2.21042, 0.004465} ->
64.5213, {13, 107.112, 1.94565, 0.} ->
54.2024, {17, 119.12, 1.80421, 0.69778} ->
60.0127, {17, 115.132, 1.85582, 0.653248} ->
60.4883, {24, 163.173, 2.3256, 0.583238} ->
82.9543, {17, 154.121, 2.32394, 0.184238} ->
71.0304, {6, 32.046, 0.844511, 0.133453} ->
18.8763, {24, 180.156, 2.37098, 0.570255} ->
85.9358, {10, 45.085, 1.21897, 0.448595} ->
30.395, {24, 189.167, 2.58245, 0.636218} ->
90.2379, {36, 292.244, 3.47294, 0.643209} ->
136.193, {14, 75.111, 1.53807, 0.613078} ->
44.4508, {81, 430.717, 6.23901, 1.3141} ->
263.062, {13, 59.112, 1.39674, 0.455956} ->
39.5699, {6, 151.445, 1.72414, 0.485684} ->
51.89, {14, 105.093, 1.74882, 0.566047} ->
50.8378, {44, 289.375, 3.52825, 0.979408} ->
157.664, {12, 177.985, 1.90689, 0.291135} ->
60.6087, {19, 152.149, 2.34252, 0.623164} ->
75.3244, {18, 170.12, 2.51102, 0.0000122499} ->
75.9113, {25, 180.203, 3.04403, 0.43964} ->
93.9366, {18, 162.144, 2.48769, 0.00896652} ->
76.3901, {14, 101.105, 1.75255, 0.568423} ->
51.2848, {5, 50.488, 0.881537, 0.374175} ->
23.2574, {10, 166.958, 1.87532, 0.373616} ->
52.7555, {77, 352.691, 8.17532, 0.803205} ->
234.556, {26, 136.238, 2.03793, 0.927795} ->
85.802, {9, 72.063, 1.49294, 0.200127} ->
35.4121, {12, 108.096, 1.91132, 0.0102298} ->
52.1219, {18, 153.137, 2.56686, 0.0970625} ->
73.165, {2, 36.461, 0.22462, 0.} ->
14.6684, {18, 158.156, 2.31903, 0.0085187} ->
77.9486, {19, 100.161, 2.21958, 0.657915} ->
61.6149, {8, 202.295, 2.05308, 0.704135} ->
68.0255, {16, 150.086, 2.13492, 0.480362} ->
64.1106, {13, 89.094, 1.68584, 0.524367} ->
46.035, {20, 172.136, 2.44211, 0.554346} ->
79.439, {11, 104.061, 1.83936, 0.548303} ->
45.1739, {17, 120.151, 2.23457, 0.488148} ->
65.5626, {3, 159.598, 0.717656, 0.} ->
27.6623, {24, 180.156, 2.38545, 0.772518} ->
85.9896, {25, 224.215, 2.85806, 0.00722886} ->
108.656, {19, 100.161, 1.80031, 0.551476} ->
61.2987, {21, 180.159, 2.53815, 0.129147} ->
86.0835, {20, 151.165, 2.56574, 0.336103} ->
77.4564, {51, 394.423, 4.15369, 1.4234} ->
199.434, {22, 180.206, 2.58304, 0.00633686} ->
93.2489, {18, 136.15, 2.27859, 0.107163} ->
70.6761, {15, 109.132, 1.9157, 0.0000129952} ->
57.3979, {8, 98.96, 1.62459, 0.55533} ->
41.3306, {18, 114.144, 1.79659, 0.652405} ->
62.8829, {21, 102.177, 2.61269, 0.639866} ->
65.1145, {18, 174.108, 2.44665, 0.802221} ->
75.4315, {16, 151.121, 2.55011, 0.0000111583} ->
69.6357, {24, 216.192, 2.76533, 0.178155} ->
101.274, {39, 204.357, 2.37581, 1.06834} ->
127.861, {27, 130.231, 2.49139, 0.61067} ->
83.4642, {26, 136.238, 2.03518, 0.913078} ->
85.802, {16, 151.121, 2.46993, 0.0000171118} ->
69.6357, {19, 117.148, 1.95205, 0.746883} ->
64.1521, {3, 47.013, 0.943783, 0.} ->
16.8173, {26, 136.238, 1.96175, 1.01964} ->
85.802, {19, 182.135, 2.5852, 0.16067} ->
81.5321, {17, 98.145, 2.03365, 0.753554} ->
58.0856, {10, 80.09, 1.45254, 0.0000103963} ->
41.4906, {17, 132.119, 2.0623, 0.690504} ->
63.1898, {3, 76.145, 1.45959, 0.} ->
29.4568, {8, 76.12, 1.4044, 0.224596} ->
35.7216, {18, 182.088, 3.17497, 0.513109} ->
74.221, {120, 822.942, 6.24888, 1.22643} ->
425.227, {14, 88.106, 1.66312, 0.457276} ->
48.1163, {5, 119.378, 1.59512, 0.541139} ->
41.054, {83, 380.745, 7.46525, 0.895042} ->
252.906, {40, 198.35, 4.62975, 0.682173} ->
125.809, {15, 120.173, 2.25627, 0.487776} ->
58.2394, {27, 152.237, 2.05504, 0.976105} ->
90.5993, {18, 88.15, 2.00891, 0.606598} ->
55.9396, {20, 182.178, 2.45032, 0.00434234} ->
87.5266, {3, 44.013, 1.03749, 0.} ->
17.0828, {16, 73.139, 1.93961, 0.510306} ->
48.7448, {28, 211.217, 2.77995, 0.689018} ->
105.416, {13, 89.094, 1.90534, 0.37946} ->
45.8024, {17, 132.115, 2.30198, 0.564266} ->
63.7563, {21, 150.177, 2.34568, 0.711208} ->
79.6184, {26, 136.238, 2.19494, 0.917594} ->
86.1182, {4, 17.031, 0.423646, 0.147798} ->
11.8933, {18, 148.114, 2.20563, 0.766148} ->
68.4045, {23, 161.204, 2.60003, 0.470284} ->
86.4457, {2, 74.551, 0.499402, 0.} ->
62.4441, {32, 202.25, 4.20041, 0.661061} ->
109.398, {10, 58.08, 1.26959, 0.425255} ->
34.0067, {26, 114.232, 2.99515, 0.656924} ->
78.5833, {96, 536.888, 8.59934, 1.14864} ->
326.053, {53, 314.469, 4.06562, 0.953441} ->
182.431, {15, 74.123, 1.65402, 0.624087} -> 46.7647}