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Links tagged with 'drug toxicity'

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FAF-DrugsTool Content

http://bioserv.rpbs.jussieu.fr/Help/FAFDrugs.html

Other Molecules > Small Molecules

Free ADME/tox Filtering (FAF-Drugs) allows users to process their own compound collections via simple absorption, distribution, metabolism, excretion and toxicity (ADME/tox) filtering rules to aid in the drug discovery process.

NAR Web Server Issue 2006
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tagsdrug design drug toxicity pharmaceutical preparations pharmacokinetics

FragmentStoreDatabase Content

http://bioinformatics.charite.de/fragment_store

Other Molecules > Databases

FragmentStore, a resource for the comparison of fragments found in metabolites, drugs or toxic compounds. Starting from 13,000 metabolites, 16,000 drugs and 2200 toxic compounds we generated 35,000 different building blocks (fragments), which are not only relevant to their biosynthesis and degradation but also provide important information regarding side-effects and toxicity. The FragmentStore provides a variety of search options such as 2D structure, molecular weight, rotatable bonds, etc. Various analysis tools have been implemented including the calculation of amino acid preferences of fragments' binding sites, classification of fragments based on the enzyme classification class of the enzyme(s) they bind to and small molecule library generation via a fragment-assembler tool.

This content is being maintained by robertpreissner.

NAR Database Issue 2011
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tagsbinding sites drug design drug toxicity factual databases metabolic networks and pathways pharmaceutical preparations

SePreSATool Content

http://SePreSA.Bio-X.cn/

Other Molecules > Compounds
Protein > Interactions, Pathways, Enzymes
Protein > Molecular Dynamics and Docking

SePreSA is a server for the prediction of populations susceptible to serious adverse drug reactions. A drug molecule is submitted to the server and its potential interaction with multiple adverse drug reaction targets is calculated using DOCK program.

NAR Web Server Issue 2009
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tagsalgorithms binding sites drug toxicity genetic polymorphism humans molecular models pharmaceutical preparations protein conformation proteins

T3DBDatabase Content

http://www.t3db.org

Other Molecules > Databases

The Toxin and Toxin-Target Database (T3DB) is a unique bioinformatics resource that compiles comprehensive information about common or ubiquitous toxins and their toxin-targets. Each T3DB record (ToxCard) contains over 80 data fields providing detailed information on chemical properties and descriptors, toxicity values, protein and gene sequences (for both targets and toxins), molecular and cellular interaction data, toxicological data, mechanistic information and references. This information has been manually extracted and manually verified from numerous sources, including other electronic databases, government documents, textbooks and scientific journals. A key focus of the T3DB is on providing 'depth' over 'breadth' with detailed descriptions, mechanisms of action, and information on toxins and toxin-targets. Potential applications of the T3DB include clinical metabolomics, toxin target prediction, toxicity prediction and toxicology education.

NAR Database Issue 2010
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tagsbiological toxins computational biology drug design drug toxicity factual databases humans pharmaceutical preparations pharmacology protein databases reproducibility of results