,molecular_weight,molecular_weight,molecular_weight,molecular_weight,molecular_weight,molecular_weight,molecular_weight,molecular_weight,molecular_weight,molecular_weight,cLogP,cLogP,cLogP,cLogP,cLogP,cLogP,cLogP,cLogP,cLogP,cLogP,TPSA,TPSA,TPSA,TPSA,TPSA,TPSA,TPSA,TPSA,TPSA,TPSA,HBD,HBD,HBD,HBD,HBD,HBD,HBD,HBD,HBD,HBD,HBA,HBA,HBA,HBA,HBA,HBA,HBA,HBA,HBA,HBA,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,rotatable_bonds,ring_count,ring_count,ring_count,ring_count,ring_count,ring_count,ring_count,ring_count,ring_count,ring_count,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms,heavy_atoms
,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max,count,mean,std,min,1%,10%,50%,90%,99%,max
split,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
calibration,942.0,321.6019840764332,183.51764325353966,58.07999999999999,96.129,149.2543,290.60200000000003,520.2958000000002,1081.33175,1639.9370000000004,942.0,2.3659316878980903,2.712997244087932,-17.406400000000005,-6.681365000000004,-0.5017999999999988,2.5565500000000005,5.066932000000003,8.792528000000008,22.611800000000017,942.0,73.66678343949044,74.11310822226645,0.0,0.0,17.07,53.74,134.96899999999997,428.37610000000006,692.5600000000001,942.0,1.753715498938429,2.6348562737197194,0.0,0.0,0.0,1.0,4.0,14.0,24.0,942.0,4.197452229299363,3.7273259091325626,0.0,0.0,1.0,3.0,8.0,18.180000000000064,40.0,942.0,4.1645435244161355,4.51652953695048,0.0,0.0,0.0,3.0,9.0,21.180000000000064,44.0,942.0,2.5498938428874736,1.5719225418449694,1.0,1.0,1.0,2.0,4.0,6.0,30.0,942.0,22.225053078556265,12.209658410405007,4.0,7.0,10.0,20.0,35.0,74.59000000000003,107.0
test,945.0,299.0641343915345,169.19470486968115,57.096,82.106,142.168,270.328,459.73420000000044,1113.061359999998,1701.2060000000006,945.0,2.2450311322751335,2.298387273621859,-15.23060000000003,-4.2357279999999955,-0.20481200000000002,2.3224,4.743772000000004,7.776630399999981,14.139199999999972,945.0,70.11015873015873,65.65983699453196,0.0,0.0,17.07,56.730000000000004,129.764,336.5851999999987,777.9800000000005,945.0,1.4910052910052911,2.185801046045981,0.0,0.0,0.0,1.0,3.0,10.0,25.0,945.0,4.0962962962962965,3.652291629840591,0.0,0.0,1.0,3.0,7.0,18.559999999999945,46.0,945.0,3.8275132275132275,4.055871013488444,0.0,0.0,0.0,3.0,8.0,19.0,36.0,945.0,2.4433862433862434,1.536015772514153,1.0,1.0,1.0,2.0,4.0,7.0,22.0,945.0,20.62116402116402,11.307919487471816,3.0,5.0,10.0,19.0,31.600000000000023,63.559999999999945,122.0
train,3508.0,230.92949230330672,135.6133766716615,27.025999999999996,71.15096,113.1908,194.23,387.99810000000014,800.9307899999989,1473.6140000000005,3508.0,2.2447228420752574,1.98924567827982,-10.169900000000032,-2.00907,0.048539999999999785,2.1089,4.608258000000004,7.717848000000001,18.551219999999976,3508.0,49.73326681870011,44.557816257195505,0.0,0.0,9.23,40.46,94.83,206.03529999999995,639.1,3508.0,1.0590079817559863,1.4665537726248383,0.0,0.0,0.0,1.0,3.0,6.0,21.0,3508.0,2.82981755986317,2.4488727575158094,0.0,0.0,1.0,2.0,5.0,13.0,32.0,3508.0,4.193842645381984,4.412382032247459,0.0,0.0,0.0,3.0,9.0,21.0,47.0,3508.0,1.1488027366020523,1.3689627521153143,0.0,0.0,0.0,1.0,3.0,6.0,12.0,3508.0,15.382554161915621,9.292702698517308,2.0,4.0,7.0,13.0,26.0,55.0,102.0
