Chanin Nantasenamat dataprofessor
dataprofessor
/ 02_read_delaney_solubility.ipynb
Created
August 14, 2020 16:02
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dataprofessor
/ 01_read_delaney_csv.ipynb
Created
August 14, 2020 14:41
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dataprofessor
/ create_X_and_Y.ipynb
Created
August 14, 2020 14:36
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dataprofessor
/ delaney_solubility_with_descriptors.csv
Created
August 13, 2020 01:32
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| MolLogP | MolWt | NumRotatableBonds | AromaticProportion | logS | |
|---|---|---|---|---|---|
| 2.5954000000000006 | 167.85 | 0.0 | 0.0 | -2.18 | |
| 2.376500000000001 | 133.405 | 0.0 | 0.0 | -2.0 | |
| 2.5938 | 167.85 | 1.0 | 0.0 | -1.74 | |
| 2.0289 | 133.405 | 1.0 | 0.0 | -1.48 | |
| 2.9189 | 187.37500000000003 | 1.0 | 0.0 | -3.04 |
dataprofessor
/ delaney.csv
Created
August 12, 2020 10:26
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| Compound ID | measured log(solubility:mol/L) | ESOL predicted log(solubility:mol/L) | SMILES | |
|---|---|---|---|---|
| 1,1,1,2-Tetrachloroethane | -2.18 | -2.794 | ClCC(Cl)(Cl)Cl | |
| 1,1,1-Trichloroethane | -2 | -2.232 | CC(Cl)(Cl)Cl | |
| 1,1,2,2-Tetrachloroethane | -1.74 | -2.549 | ClC(Cl)C(Cl)Cl | |
| 1,1,2-Trichloroethane | -1.48 | -1.961 | ClCC(Cl)Cl | |
| 1,1,2-Trichlorotrifluoroethane | -3.04 | -3.077 | FC(F)(Cl)C(F)(Cl)Cl |
dataprofessor
/ shiny-first-app.R
Last active
November 10, 2020 14:55
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| # Load R packages | |
| library(shiny) | |
| library(shinythemes) | |
| # Define UI | |
| ui <- fluidPage(theme = shinytheme("cerulean"), | |
| navbarPage( | |
| "My first app", | |
| tabPanel("Navbar 1", |
dataprofessor
/ BostonHousing.csv
Last active
July 25, 2020 12:26
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| crim | zn | indus | chas | nox | rm | age | dis | rad | tax | ptratio | b | lstat | medv | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0.00632 | 18 | 2.31 | 0 | 0.538 | 6.575 | 65.2 | 4.09 | 1 | 296 | 15.3 | 396.9 | 4.98 | 24 | |
| 0.02731 | 0 | 7.07 | 0 | 0.469 | 6.421 | 78.9 | 4.9671 | 2 | 242 | 17.8 | 396.9 | 9.14 | 21.6 | |
| 0.02729 | 0 | 7.07 | 0 | 0.469 | 7.185 | 61.1 | 4.9671 | 2 | 242 | 17.8 | 392.83 | 4.03 | 34.7 | |
| 0.03237 | 0 | 2.18 | 0 | 0.458 | 6.998 | 45.8 | 6.0622 | 3 | 222 | 18.7 | 394.63 | 2.94 | 33.4 |
dataprofessor
/ situation-B-after.csv
Created
July 16, 2020 11:32
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| island_Biscoe | island_Dream | island_Torgersen | |
|---|---|---|---|
| 1 | 0 | 0 | |
| 0 | 1 | 0 | |
| 0 | 0 | 1 |
dataprofessor
/ situation-B-before.csv
Created
July 16, 2020 11:30
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| island | ||
|---|---|---|
| Biscoe | ||
| Dream | ||
| Torgersen |
dataprofessor
/ situation-A-after.csv
Created
July 15, 2020 12:48
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| island_Biscoe | ||
|---|---|---|
| 1 |