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DrugBank
Gathers detailed drug, drug-target, drug action and drug interaction information about drugs. DrugBank is a web resource that contains information about FDA-approved drugs as well as experimental drugs going through the FDA approval process. The database also includes pharmaco-omic data covering the influence of drugs on metabolite levels, gene expression levels and protein expression levels, as well as data on investigational drug clinical trials and drug repurposing trials, and thousands of up-to-date drug images of approved drugs.
IDAAPM / Integrated Database of ADMET and Adverse effects of Predictive Modeling
Integrates available approved drug data such as drug approval information, Absorption, Distribution, Metabolism, Excretion, Toxicity (ADMET) and adverse effects, chemical structures and molecular descriptors, targets, bioactivity and related references. IDAAPM is categorized into four major groups: (1) Approved drugs information, structure and physico-chemical properties; (2) ADMET properties; (3) Adverse effects; (4) Target and affinity data. Currently, IDA2PM contains 19226 FDA applications data for 31815 products, 2505 drugs information (structures, molecular descriptors and ADMET), 2.5 million drug-adverse effect pairs, 3382 targets and 36963 binding affinity data.
admetSAR
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Provides curated data for chemicals associated with known Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) profiles. admetSAR gathers more than 96 000 compounds with 45 kinds of ADMET-associated properties, proteins, organisms or species. ADMET properties can be predicted via the 22 predictive qualitative classification models and the 5 quantitative regression models implemented in the database.
PK/DB
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Aims to provides a robust database for pharmacokinetic studies and in silico ADME (Absorption, Distribution, Metabolism, and Excretion) prediction. PK/DB contains high quality data for structurally diverse compounds associated with known ADME properties, including human oral bioavailability, human intestinal absorption, plasma protein binding, blood-brain barrier, among others. Comprehensive, web based and easy to access database, PK/DB manages 1389 compounds incorporating structurally diverse drug-like and lead-like molecules which represent 4141 pharmacokinetic measurements, including five validated models for in silico ADME prediction.
PKKB / PharmacoKinetics Knowledge Base
Obsolete
Compiles comprehensive information about ADMET (Absorption, Distribution, Metabolism, and Excretion and Toxic) properties. PKKB integrates high quality data for about 1685 drug and drug-like molecules with available experimental ADMET properties, including partition coefficient (logP), solubility (logS), intestinal absorption, Caco-2 permeability, human bioavailability, plasma protein binding, volume of distribution, distribution of blood, half-time, excretion, urinary excretion, clearance, toxicity, etc. It is expected that PKKB can afford reliable data for pharmacokinetic studies and in silico ADMET modeling.
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