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Diffstat (limited to 'cv/data/csv/LOAEL_hybrid.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_hybrid.csv | 440 |
1 files changed, 440 insertions, 0 deletions
diff --git a/cv/data/csv/LOAEL_hybrid.csv b/cv/data/csv/LOAEL_hybrid.csv new file mode 100644 index 0000000..0e98d35 --- /dev/null +++ b/cv/data/csv/LOAEL_hybrid.csv @@ -0,0 +1,440 @@ +SMILES,WA.unity,WD.unity,Weta3.unity,Wnu1.unity,BCUTp-1h,BCUTw-1h,BCUTc-1h,WK.unity,WT.unity,Weta2.unity,Wlambda1.unity,BCUTp-1l,BCUTw-1l,Weta1.unity,Wnu2.unity,Wlambda2.unity,BCUTc-1l,WV.unity,Wlambda3.unity +InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,40.0847854614258,1.36334383487701,0.464813739061356,0.0793094784021378,12.5841312408447,78.9183349609375,0.128000393509865,0.226630702614784,12.556097984314,0.449853837490082,0.995817601680756,6.40316152572632,11.9985208511353,0.448676258325577,0.285182923078537,3.58078455924988,-0.366448760032654,81.0942306518555,7.97949552536011 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