computers in chemistry

The Division of Computers in Chemistry (CIC) deals with all aspects of the computer-based acquisition, processing and documentation of information and knowledge in chemistry. It sees its main task as bringing together all scientists interested in this field in order to maintain and further develop this area of knowledge. It promotes the exchange of ideas and experience and the sharing of professional input, including through

• promoting computer applications in the chemical sciences as components of university teaching
• the international annual Division conference, generally held once a year
• supporting open-access and open-source developments in the Division’s subject area
• co-operation between industry and universities
• participation in relevant national and international working groups
• maintaining relations with related institutions in Germany and abroad

Short link to this page: www.gdch.de/cic

• current developments in the field of computer applications in chemistry
• cheminformatics, including, for example, docking methods, QSAR, virtual screening and in-silico ADMETox
• molecular modelling of chemical, biological and materials systems
• databases for chemical information (facts, spectra, structures, reactions and algorithms)
• methods for processing chemical information and acquiring knowledge (statistics, chemometrics, evolutionary algorithms and machine learning)
• improving the management of chemical information