Computers in Chemistry (CIC)

Who we are - what we do

Computers in Chemistry (CIC) encompasses all aspects of the computer-based acquisition, processing and documentation of information and knowledge in chemistry. The CIC division sees its main task in bringing together all interested scientists for the purpose of maintaining and further developing this area of knowledge. It promotes the exchange of ideas and experience and the mediation of professional suggestions, including through the

Promotion of computer applications in chemical sciences as part of teaching at universities
as a rule, an annual international specialist group conference
Support of open access and open source developments in the subject area of the division
Cooperation between industry and university
Participation in relevant national and international working groups
Maintaining relationships with related institutions at home and abroad.

Work areas

The division works in the areas

current developments in the field of computer applications in chemistry
cheminformatics including e.g. docking methods, QSAR, virtual screening, in-silico ADMETox
the molecular modeling of chemical, biological and material systems
Databases for chemical information (facts, spectra, structures, reactions, algorithms)
Methods for processing chemical information and for acquiring knowledge (statistics, Chemometrics, evolutionary algorithms, machine learning)
improving the management of chemistry information

Board

The board, which is elected for a four-year term, consists of the chairman, his deputy and at least one, but not more than three assessors; universities and industry should be equally involved in the composition of the board. more

CIC award for Computational Chemistry

The division awards the CIC Prize for Computational Chemistry every year for excellent dissertations and diploma / master's theses that touch on the scientific fields represented in the CIC and represent a special achievement for the further development of the CIC field. more

Summer School on Cheminformatics

In order to give interested chemistry students an insight into our subject, a "Summer School on Cheminformatics" is organized every two years. During this one-week block course, students are introduced to the methods of chemoinformatics through lectures and practical exercises. The course can possibly be recognized with 3 ECTS in the degree program.

The first "Spring School on Chemoinformatics" took place in March 2014 at the Computer Chemistry Center in Erlangen. The second "Spring School on Chemoinformatics" was also held in March 2016 at the Computer Chemistry Center in Erlangen. More information here.

The third "Summer School on Chemoinformatics" took place from August 27th. to 31.08.18 in Halle. More information can be found here.

The next "Summer School on Cheminformatics", which will take place from 08/24 until 08/28/20 in Halle (Saale), it had to be canceled due to the corona. Further information is available here.