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Datasets/tdcommons

tdcommons

Therapeutics Data Commons

MIT LicenseIntroduced 2021-02-18

Therapeutics Data Commons is an open-science initiative with AI/ML-ready datasets and AI/ML tasks for therapeutics, spanning the discovery and development of safe and effective medicines. TDC provides an ecosystem of tools, libraries, leaderboards, and community resources, including data functions, strategies for systematic model evaluation, meaningful data splits, data processors, and molecule generation oracles. All resources are integrated via an open Python library.

Benchmarks

Drug Discovery/TDC.Caco2_WangDrug Discovery/TDC.HIA_HouDrug Discovery/TDC.Pgp_BroccatelliDrug Discovery/TDC.Bioavailability_MaDrug Discovery/TDC.Lipophilicity_AstraZenecaDrug Discovery/TDC.Solubility_AqSolDBDrug Discovery/TDC.BBB_MartinsDrug Discovery/TDC.PPBR_AZDrug Discovery/TDC.VDss_LombardoDrug Discovery/TDC.CYP2D6_Inhibition_VeithDrug Discovery/TDC.CYP3A4_Inhibition_VeithDrug Discovery/TDC.CYP2C9_Inhibition_VeithDrug Discovery/TDC.CYP2D6_Substrate_CarbonMangelsDrug Discovery/TDC.CYP3A4_Substrate_CarbonMangelsDrug Discovery/TDC.CYP2C9_Substrate_CarbonMangelsDrug Discovery/TDC.Half_Life_ObachDrug Discovery/TDC.Clearance_Microsome_AZDrug Discovery/TDC.Clearance_Hepatocyte_AZDrug Discovery/TDC.hERGDrug Discovery/TDC.AMESDrug Discovery/TDC.DILIDrug Discovery/TDC.LD50_ZhuTherapeutics Data Commons/TDC.Caco2_WangTherapeutics Data Commons/TDC.HIA_HouTherapeutics Data Commons/TDC.Pgp_BroccatelliTherapeutics Data Commons/TDC.Bioavailability_MaTherapeutics Data Commons/TDC.Lipophilicity_AstraZenecaTherapeutics Data Commons/TDC.Solubility_AqSolDBTherapeutics Data Commons/TDC.BBB_MartinsTherapeutics Data Commons/TDC.PPBR_AZTherapeutics Data Commons/TDC.VDss_LombardoTherapeutics Data Commons/TDC.CYP2D6_Inhibition_VeithTherapeutics Data Commons/TDC.CYP3A4_Inhibition_VeithTherapeutics Data Commons/TDC.CYP2C9_Inhibition_VeithTherapeutics Data Commons/TDC.CYP2D6_Substrate_CarbonMangelsTherapeutics Data Commons/TDC.CYP3A4_Substrate_CarbonMangelsTherapeutics Data Commons/TDC.CYP2C9_Substrate_CarbonMangelsTherapeutics Data Commons/TDC.Half_Life_ObachTherapeutics Data Commons/TDC.Clearance_Microsome_AZTherapeutics Data Commons/TDC.Clearance_Hepatocyte_AZTherapeutics Data Commons/TDC.hERGTherapeutics Data Commons/TDC.AMESTherapeutics Data Commons/TDC.DILITherapeutics Data Commons/TDC.LD50_Zhu

Statistics

Papers
6
Benchmarks
44

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Tasks

Drug DiscoveryTDC ADMET Benchmarking GroupTherapeutics Data Commons