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아카이브 평가 12건 · 마지막 적재/변경 2026-10-30

원본 데이터셋 링크 1

평가 기록

과거 수집 기록이며 최신 순위가 아닙니다. 데이터셋 버전·split·실험 조건과 지표 방향이 검증되지 않은 결과는 직접 비교할 수 없습니다. 날짜는 논문 날짜이며 최신 평가일을 뜻하지 않습니다.

표가 화면보다 넓으면 좌우로 스크롤하여 논문과 구현 링크를 확인하세요.

원본 기록 순서 · 순위 미부여
모델	원본 지표·값	논문	구현
MapLight	TDC.Caco2_Wang 0.276	ADMET property prediction through combinations of molecular fingerprints 2023-09-29	코드 1
XGBoost	TDC.Solubility_AqSolDB 0.727 TDC.Caco2_Wang 0.288 TDC.HIA_Hou 0.987 TDC.Pgp_Broccatelli 0.911 TDC.Bioavailability_Ma 0.7 TDC.Lipophilicity_AstraZeneca 0.533 TDC.BBB_Martins 0.905 TDC.PPBR_AZ 8.251 TDC.VDss_Lombardo 0.612 TDC.CYP2D6_Inhibition_Veith 0.794 TDC.CYP3A4_Inhibition_Veith 0.721 TDC.CYP2C9_Inhibition_Veith 0.877 TDC.CYP2D6_Substrate_CarbonMangels 0.387 TDC.CYP3A4_Substrate_CarbonMangels 0.648 TDC.CYP2C9_Substrate_CarbonMangels 0.680 TDC.Half_Life_Obach 0.396 TDC.Clearance_Microsome_AZ 0.420 TDC.Clearance_Hepatocyte_AZ 0.587 TDC.hERG 0.806 TDC.AMES 0.859 TDC.DILI 0.933 TDC.LD50_Zhu 0.602	Accurate ADMET Prediction with XGBoost 2022-04-15	코드 1
DeepMol	TDC.Caco2_Wang 0.297	DeepMol: An Automated Machine and Deep Learning Framework for Computational Chemistr 2024-06-01	코드 1
MLP-RDKit2D	TDC.Solubility_AqSolDB 0.827 TDC.Caco2_Wang 0.393 TDC.HIA_Hou 0.972 TDC.Pgp_Broccatelli 0.918 TDC.Bioavailability_Ma 0.672 TDC.Lipophilicity_AstraZeneca 0.574 TDC.BBB_Martins 0.889 TDC.PPBR_AZ 9.994 TDC.VDss_Lombardo 0.561 TDC.CYP2D6_Inhibition_Veith 0.616 TDC.CYP3A4_Inhibition_Veith 0.829 TDC.CYP2C9_Inhibition_Veith 0.742 TDC.CYP2D6_Substrate_CarbonMangels 0.677 TDC.CYP3A4_Substrate_CarbonMangels 0.639 TDC.CYP2C9_Substrate_CarbonMangels 0.360 TDC.Half_Life_Obach 0.184 TDC.Clearance_Microsome_AZ 0.586 TDC.Clearance_Hepatocyte_AZ 0.382 TDC.hERG 0.841 TDC.AMES 0.823 TDC.DILI 0.875 TDC.LD50_Zhu 0.678	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development 2021-02-18	코드 1 · 코드 2
AttentiveFP	TDC.Solubility_AqSolDB 0.776 TDC.Caco2_Wang 0.401 TDC.HIA_Hou 0.974 TDC.Pgp_Broccatelli 0.892 TDC.Bioavailability_Ma 0.632 TDC.Lipophilicity_AstraZeneca 0.572 TDC.BBB_Martins 0.855 TDC.PPBR_AZ 9.373 TDC.VDss_Lombardo 0.241 TDC.CYP2D6_Inhibition_Veith 0.646 TDC.CYP3A4_Inhibition_Veith 0.851 TDC.CYP2C9_Inhibition_Veith 0.749 TDC.CYP2D6_Substrate_CarbonMangels 0.574 TDC.CYP3A4_Substrate_CarbonMangels 0.576 TDC.CYP2C9_Substrate_CarbonMangels 0.375 TDC.Half_Life_Obach 0.085 TDC.Clearance_Microsome_AZ 0.365 TDC.Clearance_Hepatocyte_AZ 0.289 TDC.hERG 0.825 TDC.AMES 0.814 TDC.DILI 0.886 TDC.LD50_Zhu 0.678	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development 2021-02-18	코드 1 · 코드 2
AttrMasking	TDC.Solubility_AqSolDB 1.026 TDC.Caco2_Wang 0.546 TDC.HIA_Hou 0.978 TDC.Pgp_Broccatelli 0.929 TDC.Bioavailability_Ma 0.577 TDC.Lipophilicity_AstraZeneca 0.547 TDC.BBB_Martins 0.892 TDC.PPBR_AZ 10.075 TDC.VDss_Lombardo 0.559 TDC.CYP2D6_Inhibition_Veith 0.721 TDC.CYP3A4_Inhibition_Veith 0.902 TDC.CYP2C9_Inhibition_Veith 0.829 TDC.CYP2D6_Substrate_CarbonMangels 0.704 TDC.CYP3A4_Substrate_CarbonMangels 0.582 TDC.CYP2C9_Substrate_CarbonMangels 0.381 TDC.Half_Life_Obach 0.151 TDC.Clearance_Microsome_AZ 0.585 TDC.Clearance_Hepatocyte_AZ 0.413 TDC.hERG 0.778 TDC.AMES 0.842 TDC.DILI 0.919 TDC.LD50_Zhu 0.685	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development 2021-02-18	코드 1 · 코드 2
GCN	TDC.Solubility_AqSolDB 0.907 TDC.Caco2_Wang 0.599 TDC.HIA_Hou 0.936 TDC.Pgp_Broccatelli 0.895 TDC.Bioavailability_Ma 0.566 TDC.Lipophilicity_AstraZeneca 0.541 TDC.BBB_Martins 0.842 TDC.PPBR_AZ 10.194 TDC.VDss_Lombardo 0.457 TDC.CYP2D6_Inhibition_Veith 0.616 TDC.CYP3A4_Inhibition_Veith 0.840 TDC.CYP2C9_Inhibition_Veith 0.735 TDC.CYP2D6_Substrate_CarbonMangels 0.617 TDC.CYP3A4_Substrate_CarbonMangels 0.590 TDC.CYP2C9_Substrate_CarbonMangels 0.344 TDC.Half_Life_Obach 0.239 TDC.Clearance_Microsome_AZ 0.532 TDC.Clearance_Hepatocyte_AZ 0.366 TDC.hERG 0.738 TDC.AMES 0.818 TDC.DILI 0.859 TDC.LD50_Zhu 0.649	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development 2021-02-18	코드 1 · 코드 2
Galactica-GAL-120B	TDC.BBB_Martins 0.661	Galactica: A Large Language Model for Science 2022-11-16	코드 1
Galactica-GAL-1.3B	TDC.BBB_Martins 0.604	Galactica: A Large Language Model for Science 2022-11-16	코드 1
Galactica-GAL-30B	TDC.BBB_Martins 0.596	Galactica: A Large Language Model for Science 2022-11-16	코드 1
Galactica-GAL-6.7B	TDC.BBB_Martins 0.535	Galactica: A Large Language Model for Science 2022-11-16	코드 1
Galactica-GAL-125M	TDC.BBB_Martins 0.393	Galactica: A Large Language Model for Science 2022-11-16	코드 1