Subject Guide
Search :
BlueObelisk
Blue Obelisk is a group of chemists/programmers/informaticians united by a vision: The use of open systems in working with chemical information. The activities of the group cover the spectrum of Open Source, Open Standards and OpenData. Members of the group ar... [Detailed information]
CADD Group's Chemoinformatics Tools and User Services
The purpose of this website is to provide to the public structures, data, tools, programs and other useful information. During the last ten yeary current and former members of the CADD Group and many others, both individuals and companies or their representati... [Detailed information]
UsefulChem Project
Useful Chem is an open source science project in chemistry led by the Bradley Laboratory at Drexel University. Based on the principles of open source, chemists at the Bradley Laboratory work on the developments of cures for tropical diseases like Malaria. All ... [Detailed information]
BIOSILICO
Website of the journal BIOSILICO. [Detailed information]
Chem-Bio Informatics Journal
Website of the journal Chem-Bio Informatics Journal. [Detailed information]
Journal of Chemometrics (-1995)
The Journal of Chemometrics publishes original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. [Detailed information]
Journal of Chemometrics (1996-)
QSAR and Combinatorial Science
The journal QSAR & Combinatorial Science publishes articles dealing with all aspects of computer-assisted methods and combinatorial techniques, as well as their applications in organic and inorganic chemistry, medicinal chemistry, biochemistry, drug design, an... [Detailed information]
DrugBank
This database is comprehensive chemoinformatics and bioinformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The database co... [Detailed information]
World Wide Molecular Matrix
The WWMM web site offers several web services, which can be used to create applications on molecules and their properties. The web services can be accessed via web forms, an OBServer or WSDL and include the generation of InChI code from CML, Mol or SDF files, ... [Detailed information]
nmrdb.org - Database of NMR spectra
The web site nmrdb.org offers a database of 1H and 13C NMR spectra and several useful tools for handling spectra data. The database can be searched by chemical shift, chemical formula and mass. Each data entry provides spectrum information presented within a J... [Detailed information]
Etomica: Molecular Simiulation API
The web site project offers both a Java API and development environment for construction and implementation of molecular simulations and a suite of instructional modules based in molecular simulation in the field of chemical engineering. The development enviro... [Detailed information]
Virtual Computational Chemistry Laboratory
This site provides free on-line tools for performing computational chemistry, ADME/T and chemoinformatics tasks including the building and visualisation of chemical structures, the calculation of molecular properties and the analysis of relationships between c... [Detailed information]
The Cheminformatics and QSAR Society
The website of the cheminformatics and QSAR society provides news, a meetings calendar, job positions and useful resources. This website also offers a wide spectrum of useful software for cheminformatics and QSAR. A listing to links of worldwide supercomputing... [Detailed information]
The QSAR and Modelling Society
The web site of the QSAR and Modelling Society provides information about its members, conferences and news related the fields of QSAR and modelling, a job pool and a collection of resources dealing with QSAR and modelling. [Detailed information]
Fachbereich 02: Biologie/Chemie,Abteilung Nachhaltigkeit in der Chemie im UFT, Universität Bremen
Workgroup Johannes Ranke, Fachbereich 02: Biologie/Chemie,Abteilung Nachhaltigkeit in der Chemie im UFT, Universität Bremen, Bremen (link to research guide of the GDCh)
Fachbereich Biologie, Chemie, Pharmazie - Institut für Chemie und Biochemie,Organische Chemie, Freie Universität Berlin
Workgroup Burkhard Kirste, Fachbereich Biologie, Chemie, Pharmazie - Institut für Chemie und Biochemie,Organische Chemie, Freie Universität Berlin, Berlin (link to research guide of the GDCh)
Fakultät IV - Elektrotechnik und Informatik,Computer Science, Machine Learning, Technische Universität Berlin
Workgroup Klaus-Robert Müller, Fakultät IV - Elektrotechnik und Informatik,Computer Science, Machine Learning, Technische Universität Berlin, Berlin (link to research guide of the GDCh)
Natur- und Wirkstoffchemie, Leibniz-Institut für Pflanzenbiochemie (IPB)
Workgroup Ludger Wessjohann, Natur- und Wirkstoffchemie, Leibniz-Institut für Pflanzenbiochemie (IPB), Halle (Saale) (link to research guide of the GDCh)
Naturwissenschaftliche Fakultät - Chemie,Institut für Technische Chemie, Leibniz-Universität Hannover
Workgroup Bernd Hitzmann, Naturwissenschaftliche Fakultät - Chemie,Institut für Technische Chemie, Leibniz-Universität Hannover, Hannover (link to research guide of the GDCh)
Chemical blogspace
The web site chemical blogspace aggregates several blogs from chemistry and related fields. The information from the blogs is reorganized and presented as blogs dealing with book reviews, current research articles, molecules of interest, news and comments etc.... [Detailed information]
Depth-First: Walking the web of chemical informatics
In this chemoinformatics blog Rich Apodaca, member of the Blue Obelisk, writes about his thoughts on chemoinformatics, programming and chemical information. One emphasis lies on the use of Ruby to access and handle chemical information. [Detailed information]
chem-bla-ics
The blog chemblaics from Egon Willighagen deals with the science that uses computers to address and possibly solve problems in the area of chemistry, biochemistry and related fields. The big difference between chemblaics and areas as chemoinformatics, chemomet... [Detailed information]
petermr’s blog - A Scientist and the Web
In his blog Peter Murray-Rust blogs about aspects of programming and data handling in chemistry, chemoinformatics, Open Access and Open Source and much more. [Detailed information]
