chem2bio2rdf.wikispaces.com
chem2bio2rdf - Datasets
http://chem2bio2rdf.wikispaces.com/Datasets
Skip to main content. Get your brand new Wikispaces Classroom now. And do "back to school" in style. Automated Linked Path Generation. Case 1 Adverse Drug Reaction. Case 3 Disease specific chemicals discovery and ranking. Extraction of Biological, Chemical Networks from Bio2RDF, LODD and Chem2Bio2RDF. Properties of chemical or drugs). PubChem Compound* / *. Interacting between compound and proteins or compound and biological system ). Compound, assay, target, binding affinity). KEGG Ligand and Drug.
cbligand.org
News
http://cbligand.org/cbid/news.php
WITHDRAWAL OF THE MARKETING Acomplia(rimonabant) IN THE EUROPEAN UNION. On 19 June 2006, the European Commission granted a marketing authorisation valid throughout the European Union for the medicinal product Acomplia (rimonabant), indicated as an adjunct to diet and exercise for the treatment of obese patients (BMI Ý 30 kg/m2), or overweight patients(BMI 27 kg/m2) with associated risk factor(s), such as type 2 diabetes or dyslipidaemia. More details can be found in. An interesting paper in the. Publishe...
environmentalmedicine.nl
ECEMed - Contact
http://www.environmentalmedicine.nl/links.htm
Skip to navigation (Press Enter). Skip to main content (Press Enter). Expertise Centre Environmental Medicine. Topklinisch Expertise Centrum STZ. ECEMed in de pers. Meldpunt Gezondheid en Milieu. Veiligheidsbladen van stoffen en producten. Ministerie van Sociale zaken. Environmental Consultancy and Management (ECM). The National Institute of Occupational Safety and Health. Agency for Toxic Substances and Disease Registry. American College of Occupational and Environmental Medicine.
cdb.ics.uci.edu
Datasets: For Machine Learning and Searching Experiments
http://cdb.ics.uci.edu/cgibin/LearningDatasetsWeb.py
Download: All Chemical Isomers. Listed below are experimentally annotated subsets of the ChemDB. For information regarding how to download the entire ChemDB, refer to the Database Download page. Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues Rajarshi Guha and Peter C. Jurs J. Chem. Inf. Comput. Sci. 2004; 44(4) pp 1440 - 1449;. 245 BZD Compounds for QSAR Modelling that act on the BZD receptor. No Common Substructure. 26 Dopamine D2 Receptor Agonists.
usefulchem.blogspot.com
Useful Chemistry: Validating Melting Point Data from Alfa Aesar, EPI and MDPI
http://usefulchem.blogspot.com/2011/03/validating-melting-point-data-from-alfa.html
This blog chronicles the research of the UsefulChem project in the Bradley lab at Drexel University. The main project currently involves the synthesis of novel anti-malarial compounds. The work is done under Open Notebook Science conditions with the actual detailed lab notebook located at usefulchem.wikispaces.com. More general comments posted here relate to Open Science, especially when associated with chemistry. Friday, March 04, 2011. Validating Melting Point Data from Alfa Aesar, EPI and MDPI. A tota...
chemdb.ics.uci.edu
Datasets: For Machine Learning and Searching Experiments
http://chemdb.ics.uci.edu/cgibin/LearningDatasetsWeb.py
Download: All Chemical Isomers. Listed below are experimentally annotated subsets of the ChemDB. For information regarding how to download the entire ChemDB, refer to the Database Download page. Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues Rajarshi Guha and Peter C. Jurs J. Chem. Inf. Comput. Sci. 2004; 44(4) pp 1440 - 1449;. 245 BZD Compounds for QSAR Modelling that act on the BZD receptor. No Common Substructure. 26 Dopamine D2 Receptor Agonists.
dmd.aspetjournals.org
Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties
http://dmd.aspetjournals.org/content/38/11/2083.long
Skip to main page content. Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties. Rishi R. Gupta. Eric M. Gifford. Chris L. Waller. Barry A. Bunin. Dr Sean Ekins, Collaborative Drug Discovery, 601 Runnymede Ave., Jenkintown, PA 19046. Problems associated with late-stage failures of potent lead compounds in the pharmaceutical industry due to undesirable physicochemical properties has led to a s...
reccr.chem.rpi.edu
Rensselaer Exploratory Center for Cheminformatics Research: Data
http://reccr.chem.rpi.edu/data.html
Rensselaer Exploratory Center for Cheminformatics Research (RECCR). NCGC Pyruvate Kinase Inhibitors. With several sets of descriptors computed at RECCR. Example Dataset for ROMS modeling. PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries. A free database of commercially-available compounds for virtual screening, containing over 4.6 million compounds in ready-to-dock, 3D formats. Protein Data Bank (PDB). Mother of All Databases.
appliedpredictivemodeling.com
Data — Applied Predictive Modeling
http://appliedpredictivemodeling.com/data
These data are found on the website for the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy and the U.S. Environmental Protection Agency. Our analysis contains data on the relationship between fuel economy and engine displacement. The training data consists of model year 2010 data and the test set is comprised of cars from 2011 that were not in the 2010 data set. The data can be found in the AppliedPredictiveModeling. Tetko et al. (2001). And in the AppliedPredictiveModeling.
