computers in chemistry (CIC)

Who we are - What we do

The Division of Computers in Chemistry (CIC) deals with all aspects of computer-based acquisition, processing and documentation of information and knowledge in chemistry. It sees its main task in bringing together all interested scientists for the purpose of maintaining and further developing this field of knowledge. It promotes the exchange of ideas and experiences and the communication of professional suggestions, among other things through the

Promotion of computer applications in the chemical sciences as part of teaching at universities
usually an annual international specialist group conference
Support for 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 Young Scientist Award for Computational Chemistry

The Division awards the CIC Young Scientist Award 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 field, a "Summer School on Cheminformatics" is held every 2 years. During this one-week block course, the students are introduced to the methods of chemoinformatics through lectures and practical exercises. The course can possibly be recognized with 3 ECTS in the university courses .

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

The third "Summer School on Chemoinformatics" took place from 27.08. to August 31, 2018 in Halle. More information can be found here.

The next "Summer School on Cheminformatics", which will take place from 24.08. to 28.08.20 should take place again in Halle (Saale), had to be canceled due to corona. Also in 2021 the event could not take place due to the pandemic. The next summer school will take place from 21.08. to 25.08.2023 in Halle. More information is available here.