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3167707
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0ed304d
fixes the broken links for images
Browse files- 02_bcce_2024.ipynb +4 -4
02_bcce_2024.ipynb
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@@ -120,7 +120,7 @@
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"\n",
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"Consider the molecule ethanol. The image below shows a representation that we are used to seeing in chemistry:\n",
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"\n",
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" to determine the final predicted value.\n",
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"<div style=\"text-align:center;\">\n",
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" <img src=\"
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"</div>\n",
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"\n",
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"### Hyperparameters\n",
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"\n",
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"Consider the molecule ethanol. The image below shows a representation that we are used to seeing in chemistry:\n",
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"However, the SMILES representation of this molecule would be \"CCO\".\n",
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"### SMILES Examples\n",
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"<div style=\"text-align:center;\">\n",
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" <img src=\"images/smiles_example_1.png\" style=\"display: block; margin: 0 auto; max-height:300px;\">\n",
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"</div>\n",
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"<div style=\"text-align:center;\">\n",
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" <img src=\"images/smiles_example_2.png\" style=\"display: block; margin: 0 auto; max-height:300px;\">\n",
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"</div>\n",
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"\n",
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"### Using Online Resources\n",
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"The next step after the data preparation is to build and train our random forest regression model. A random forest is a decision tree model that uses a \"forest\" of multiple decision trees and randomly chooses which variables to use in each tree. Generally, each individual tree is not that good at making a prediction, but collectively the trees are quite good at making predictions. Note that each tree predicts an individual value and then a vote is taken (in the case of regression, an average of the predicted values) to determine the final predicted value.\n",
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"<div style=\"text-align:center;\">\n",
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" <img src=\"images/Random_forest_explain.png\" style=\"display: block; margin: 0 auto; max-height:400px;\">\n",
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"</div>\n",
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"\n",
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"### Hyperparameters\n",
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