pXC50 (target) | numeric | 416 unique values 0 missing | |
molecule_id (row identifier) | nominal | 1266 unique values 0 missing | |
SpMax1_Bh.i. | numeric | 271 unique values 0 missing | |
SM06_EA.bo. | numeric | 684 unique values 0 missing | |
SM05_EA.bo. | numeric | 624 unique values 0 missing | |
SM07_EA.bo. | numeric | 695 unique values 0 missing | |
SM15_EA.bo. | numeric | 740 unique values 0 missing | |
SM08_EA.bo. | numeric | 710 unique values 0 missing | |
D.Dtr09 | numeric | 591 unique values 0 missing | |
nCIR | numeric | 18 unique values 0 missing | |
SaaN | numeric | 883 unique values 0 missing | |
D.Dtr12 | numeric | 116 unique values 0 missing | |
nR12 | numeric | 5 unique values 0 missing | |
piPC09 | numeric | 800 unique values 0 missing | |
N.067 | numeric | 4 unique values 0 missing | |
SpDiam_EA.ed. | numeric | 617 unique values 0 missing | |
SRW05 | numeric | 8 unique values 0 missing | |
piPC08 | numeric | 773 unique values 0 missing | |
piPC06 | numeric | 694 unique values 0 missing | |
SM15_EA.ed. | numeric | 761 unique values 0 missing | |
Eig01_EA.ed. | numeric | 524 unique values 0 missing | |
SM10_AEA.dm. | numeric | 524 unique values 0 missing | |
SpMax_EA.ed. | numeric | 524 unique values 0 missing | |
GATS1i | numeric | 609 unique values 0 missing | |
piPC05 | numeric | 643 unique values 0 missing | |
CATS2D_08_DL | numeric | 12 unique values 0 missing | |
SpMin8_Bh.s. | numeric | 435 unique values 0 missing | |
Eig01_AEA.ed. | numeric | 401 unique values 0 missing | |
SpMax_AEA.ed. | numeric | 401 unique values 0 missing | |
nR05 | numeric | 5 unique values 0 missing | |
SpMax1_Bh.e. | numeric | 265 unique values 0 missing | |
Eig01_AEA.bo. | numeric | 371 unique values 0 missing | |
SpMax_AEA.bo. | numeric | 371 unique values 0 missing | |
SssNH | numeric | 775 unique values 0 missing | |
SpMax1_Bh.m. | numeric | 359 unique values 0 missing | |
NssNH | numeric | 5 unique values 0 missing | |
SpMin7_Bh.s. | numeric | 491 unique values 0 missing | |
ATSC2m | numeric | 1123 unique values 0 missing | |
P_VSA_LogP_7 | numeric | 120 unique values 0 missing | |
Eig01_EA | numeric | 364 unique values 0 missing | |
SM09_AEA.bo. | numeric | 364 unique values 0 missing | |
SpDiam_EA | numeric | 364 unique values 0 missing | |
SpMax_EA | numeric | 364 unique values 0 missing | |
piPC07 | numeric | 747 unique values 0 missing | |
SpMaxA_AEA.dm. | numeric | 159 unique values 0 missing | |
C.029 | numeric | 4 unique values 0 missing | |
SsCl | numeric | 184 unique values 0 missing | |
SM11_EA | numeric | 741 unique values 0 missing | |
nImidazoles | numeric | 3 unique values 0 missing | |
Eig02_AEA.dm. | numeric | 548 unique values 0 missing | |
Eig01_EA.bo. | numeric | 409 unique values 0 missing | |
SM11_AEA.ri. | numeric | 409 unique values 0 missing | |
SpMax_EA.bo. | numeric | 409 unique values 0 missing | |
SM14_EA.bo. | numeric | 754 unique values 0 missing | |
CATS2D_03_AA | numeric | 8 unique values 0 missing | |
Eig02_EA.bo. | numeric | 503 unique values 0 missing | |
SM12_AEA.ri. | numeric | 503 unique values 0 missing | |
SM10_EA.bo. | numeric | 757 unique values 0 missing | |
SM14_EA.ed. | numeric | 761 unique values 0 missing | |
CATS2D_05_DA | numeric | 6 unique values 0 missing | |
Eig07_EA.bo. | numeric | 646 unique values 0 missing | |
piPC10 | numeric | 817 unique values 0 missing | |
SM06_EA.ed. | numeric | 729 unique values 0 missing | |
GATS4v | numeric | 406 unique values 0 missing | |
MATS1i | numeric | 502 unique values 0 missing | |
SM09_EA.bo. | numeric | 745 unique values 0 missing | |
nPyrazoles | numeric | 3 unique values 0 missing | |
Eig05_EA.ed. | numeric | 811 unique values 0 missing | |
SM14_AEA.dm. | numeric | 811 unique values 0 missing | |
Eta_betaS_A | numeric | 135 unique values 0 missing | |
MAXDP | numeric | 1041 unique values 0 missing | |
Eta_betaP_A | numeric | 312 unique values 0 missing | |
SM12_EA | numeric | 764 unique values 0 missing | |
ATSC1m | numeric | 1057 unique values 0 missing | |
piPC04 | numeric | 621 unique values 0 missing | |
SM13_EA.bo. | numeric | 742 unique values 0 missing | |
NaasC | numeric | 14 unique values 0 missing | |
MATS4p | numeric | 417 unique values 0 missing | |
Eig02_AEA.ed. | numeric | 520 unique values 0 missing | |
SaasN | numeric | 224 unique values 0 missing | |
SM12_AEA.ed. | numeric | 756 unique values 0 missing | |
TRS | numeric | 38 unique values 0 missing | |
P_VSA_MR_5 | numeric | 904 unique values 0 missing | |
Rbrid | numeric | 9 unique values 0 missing | |
X4A | numeric | 51 unique values 0 missing | |
MATS4v | numeric | 406 unique values 0 missing | |
Eig02_AEA.ri. | numeric | 522 unique values 0 missing | |
N.070 | numeric | 3 unique values 0 missing | |
GATS8i | numeric | 527 unique values 0 missing | |
SM13_AEA.ed. | numeric | 761 unique values 0 missing | |
CATS2D_07_DL | numeric | 13 unique values 0 missing | |
SpMin2_Bh.p. | numeric | 263 unique values 0 missing | |
ATS7s | numeric | 868 unique values 0 missing | |
CATS2D_03_DA | numeric | 6 unique values 0 missing | |
NaaaC | numeric | 8 unique values 0 missing | |
SM13_EA | numeric | 781 unique values 0 missing | |
SpDiam_AEA.bo. | numeric | 467 unique values 0 missing | |
SM12_EA.ed. | numeric | 772 unique values 0 missing | |
GGI10 | numeric | 284 unique values 0 missing | |
Eta_FL | numeric | 1075 unique values 0 missing | |
Eig07_EA.ri. | numeric | 745 unique values 0 missing | |
Eta_L_A | numeric | 138 unique values 0 missing | |
Eig02_EA.ed. | numeric | 679 unique values 0 missing | |
SM11_AEA.dm. | numeric | 679 unique values 0 missing | |
Eig09_AEA.ed. | numeric | 673 unique values 0 missing | |
SM13_EA.ed. | numeric | 772 unique values 0 missing | |
SM12_EA.bo. | numeric | 755 unique values 0 missing | |
Eig07_AEA.ed. | numeric | 689 unique values 0 missing | |
SM14_EA | numeric | 787 unique values 0 missing | |
SpMin8_Bh.e. | numeric | 545 unique values 0 missing | |
C. | numeric | 160 unique values 0 missing | |
SpMin8_Bh.i. | numeric | 557 unique values 0 missing | |
NaasN | numeric | 4 unique values 0 missing | |
SM15_EA | numeric | 793 unique values 0 missing | |
Eig05_AEA.ed. | numeric | 645 unique values 0 missing | |
nRNHR | numeric | 3 unique values 0 missing | |
SM14_AEA.ed. | numeric | 761 unique values 0 missing | |
SpDiam_AEA.ri. | numeric | 447 unique values 0 missing | |
CATS2D_03_AL | numeric | 21 unique values 0 missing | |
Eig11_AEA.ed. | numeric | 624 unique values 0 missing | |
SRW07 | numeric | 33 unique values 0 missing | |
nCsp3 | numeric | 19 unique values 0 missing | |
Eig10_AEA.bo. | numeric | 630 unique values 0 missing | |
SM11_EA.bo. | numeric | 739 unique values 0 missing | |
P_VSA_LogP_4 | numeric | 451 unique values 0 missing | |
P_VSA_MR_7 | numeric | 181 unique values 0 missing | |
D.Dtr05 | numeric | 749 unique values 0 missing | |
MATS4i | numeric | 368 unique values 0 missing | |
ATS3s | numeric | 774 unique values 0 missing | |
Eig04_AEA.ed. | numeric | 617 unique values 0 missing | |
MATS3v | numeric | 363 unique values 0 missing | |
MATS6m | numeric | 458 unique values 0 missing | |
Eig03_AEA.ed. | numeric | 574 unique values 0 missing | |
Eig04_EA.bo. | numeric | 630 unique values 0 missing | |
SM14_AEA.ri. | numeric | 630 unique values 0 missing | |
C.006 | numeric | 11 unique values 0 missing | |
SRW09 | numeric | 118 unique values 0 missing | |
SM04_EA.ri. | numeric | 725 unique values 0 missing | |
MATS3p | numeric | 373 unique values 0 missing | |
CATS2D_02_AA | numeric | 7 unique values 0 missing | |
Eig10_EA.bo. | numeric | 678 unique values 0 missing | |
C.034 | numeric | 5 unique values 0 missing | |
SpMin7_Bh.e. | numeric | 568 unique values 0 missing | |
Eig07_EA.ed. | numeric | 800 unique values 0 missing | |
SM02_AEA.ri. | numeric | 800 unique values 0 missing | |
SM11_EA.ed. | numeric | 788 unique values 0 missing | |
X1A | numeric | 58 unique values 0 missing | |
N.073 | numeric | 4 unique values 0 missing | |
SpDiam_EA.bo. | numeric | 414 unique values 0 missing | |
Eig09_EA | numeric | 631 unique values 0 missing | |
SM03_AEA.dm. | numeric | 631 unique values 0 missing | |
SpMax6_Bh.i. | numeric | 568 unique values 0 missing | |
SpMax5_Bh.e. | numeric | 588 unique values 0 missing | |
SM04_EA.ed. | numeric | 716 unique values 0 missing | |
D.Dtr06 | numeric | 977 unique values 0 missing | |
Eig11_EA.bo. | numeric | 661 unique values 0 missing | |
Eta_FL_A | numeric | 143 unique values 0 missing | |
SM10_EA.ed. | numeric | 795 unique values 0 missing | |
SM04_EA.bo. | numeric | 618 unique values 0 missing | |
SpMax5_Bh.v. | numeric | 607 unique values 0 missing | |
Eig13_AEA.ed. | numeric | 640 unique values 0 missing | |
Eig10_EA | numeric | 617 unique values 0 missing | |
SM04_AEA.dm. | numeric | 617 unique values 0 missing | |
P_VSA_LogP_6 | numeric | 214 unique values 0 missing | |
SpMin1_Bh.v. | numeric | 205 unique values 0 missing | |
X2A | numeric | 67 unique values 0 missing | |
Mi | numeric | 69 unique values 0 missing | |
SM08_AEA.ed. | numeric | 707 unique values 0 missing | |
SpMin5_Bh.s. | numeric | 571 unique values 0 missing | |
Eig10_AEA.dm. | numeric | 723 unique values 0 missing | |
Eig10_AEA.ri. | numeric | 738 unique values 0 missing | |
TPSA.Tot. | numeric | 703 unique values 0 missing | |
SpMax1_Bh.p. | numeric | 273 unique values 0 missing | |
Eig03_EA.bo. | numeric | 594 unique values 0 missing | |
SM13_AEA.ri. | numeric | 594 unique values 0 missing | |
MWC08 | numeric | 633 unique values 0 missing | |
SpDiam_AEA.ed. | numeric | 569 unique values 0 missing | |
SM06_EA.ri. | numeric | 755 unique values 0 missing | |
SpMax6_Bh.v. | numeric | 623 unique values 0 missing | |
SpMin4_Bh.s. | numeric | 547 unique values 0 missing | |
SM07_AEA.ed. | numeric | 693 unique values 0 missing | |
Eig14_EA.ed. | numeric | 717 unique values 0 missing | |
SM09_AEA.ri. | numeric | 717 unique values 0 missing | |
nCL | numeric | 4 unique values 0 missing | |
NsCl | numeric | 4 unique values 0 missing | |
P_VSA_e_4 | numeric | 4 unique values 0 missing | |
SpMin4_Bh.m. | numeric | 513 unique values 0 missing | |
ATS4s | numeric | 787 unique values 0 missing | |
CATS2D_02_DA | numeric | 9 unique values 0 missing | |
Eig02_EA.ri. | numeric | 513 unique values 0 missing | |
Eig05_AEA.ri. | numeric | 693 unique values 0 missing | |
MATS3i | numeric | 414 unique values 0 missing | |
SM03_EA.ed. | numeric | 420 unique values 0 missing | |
SpMin6_Bh.v. | numeric | 547 unique values 0 missing | |
MPC06 | numeric | 204 unique values 0 missing | |
Eig06_EA | numeric | 627 unique values 0 missing | |
SM14_AEA.bo. | numeric | 627 unique values 0 missing | |
P_VSA_s_2 | numeric | 83 unique values 0 missing | |
Eig11_AEA.ri. | numeric | 733 unique values 0 missing | |
SpDiam_EA.ri. | numeric | 410 unique values 0 missing | |
SM06_AEA.ed. | numeric | 674 unique values 0 missing | |
Eig04_EA | numeric | 573 unique values 0 missing | |
SM12_AEA.bo. | numeric | 573 unique values 0 missing | |
SpMin6_Bh.s. | numeric | 567 unique values 0 missing | |
SM03_EA.bo. | numeric | 134 unique values 0 missing | |
MPC10 | numeric | 343 unique values 0 missing | |
SpMax6_Bh.p. | numeric | 597 unique values 0 missing | |
Eig13_EA.ed. | numeric | 706 unique values 0 missing | |
SM08_AEA.ri. | numeric | 706 unique values 0 missing | |
Eig11_EA.ed. | numeric | 711 unique values 0 missing | |