Absorption, distribution, metabolism and expression databases | Chemical informatics data analysis
Pharmacokinetics describes the fate of substances administered to a living organism, including pharmaceutical drugs, pesticides, food additives, cosmetics, etc. Once in the organism, those substances undergo four main processes: Absorption, distribution, metabolism, and expression (or elimination) (ADME). ADME databases gather pharmacokinetics information on drugs such as adverse effects, chemical structure, toxicity, targets, interactions, etc.
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.
Gathers detailed ADME Rat 16-Assay Bioarray annotation data. adme16cod.db is an R package containing 17 objects mainly dealing with associations between Manufacturer Ids or Identifier with other data from public repositories such as PubMed Identifiers, Gene Ontology (GO) IDs or Gene Ontology (GO) IDs. This package is updated biannually.
Assists users in pharmaceutical research. SoftMining can be used for computational toxicology, drug design, data mining, process optimization, gaming and promotion. It can predict, for a large group of molecules, the ADMET properties (absorption, distribution, metabolism, excretion and toxicity) starting with the characteristics of a molecule. It also allows the design quality of new drugs.
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.
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.
Gathers network pharmacology related interactions information at the systemic level. PhID aims to provides a repository for visualizing relationships between entities such as drugs, targets, diseases, genes, pathways, and side-effects. The database includes more than 306000 activities. Searches can be made by names, ids, molecular structures, or molecular fragments for different purposes.
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.