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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.

PK/DB

Obsolete
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.

admetSAR

Obsolete
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Provides comprehensive manually curated data for diverse chemicals associated with known Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) profiles. admetSAR created a user-friendly interface to search for ADMET properties profiling by name, CASRN and similarity search. In addition, admetSAR can predict about 50 ADMET endpoints by a development chemoinformatics-based toolbox, entitled ADMET-Simulator which integrates high quality and predictive QSAR models. admetSAR will be helpful for in silico screening ADMET profiles of drug candidates and environmental chemicals.

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.