admet
From: DOI: 10.1021/acs.jmedchem.5b00104 (pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures Douglas E. V. Pires,,†,‡,§ Tom L. Blundell,† and David B. Ascher,†,§)
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http://bleoberis.bioc.cam.ac.uk/pkcsm/prediction - pkCSM: predicting small-molecule pharmacokinetic properties using graph-based signatures
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http://www.organic-chemistry.org/prog/peo/ - calculates on-the-fly various drug-relevant properties
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http://lmmd.ecust.edu.cn:8000/ - A comprehensive source and free tool for evaluating chemical ADMET properties
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http://tox.charite.de/tox/ - a webserver for the prediction of oral toxicities of small molecules in rodents!
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http://www.swisstargetprediction.ch/ - website allows you to predict the targets of a small molecule
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http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm - a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel.
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http://bioinformatics.charite.de/supertoxic/index.php?site=home - collected toxic compounds from literature and web sources in the database SuperToxic.
- http://www.farma.ku.dk/smartcyp/index.php - SMARTCyp predicts the sites in molecules that are most liable to cytochrome P450 mediated metabolism
- http://www.farma.ku.dk/whichcyp/index.php - WhichCyp predicts which P450 isoform will bind/metabolize a molecule using simple yes/no classification models.