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December 2016, Newsletter 3
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Content of this newsletter
- Autumn School
- TUM Open Day
- Publications
- Conferences
- Next Spring School
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Ten regular lectures of the school covered chemoinformatics and drug development in large companies and SMEs, the role of structural biology in drug discovery, challenges with the analysis of Big Data in chemistry, polypharmacology, chemical reactions, molecular graphs, Matched Molecular Pairs, conformational analysis and others, which were given by beneficiaries and associated partners. The introduction to cryptology and secure computation, which could be of interest with respect to sharing of information amid organizations, was covered with two lectures given by Dr. S. Fehr from CWI. There were also two invited speakers: Prof. M. Cronin (University of Liverpool) covered the use of computational methods in REACH and TOXCAST while Prof. T. Langer (University of Vienna) explained how 2D and 3D pharmacophores can be used in drug discovery.
Two practical courses covered SAR/QSAR analysis and Python in chemoinformatics, and a seminar on research integrity, good scientific practice and ethics was given by Prof. Hella von Unger (Ludwig-Maximilians University Munich). In addition, the ESRs introduced themselves and the projects on which they have started to work.
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A visit to Boehringer Ingelheim site in Biberach rounded off the program. A guided tour of the High-Throughput Screening, Combinatorial Chemistry, and Compound Management facilities allowed the students to see how a large pharmaceutical company operates. At the end the fellows met the Computational Chemistry team, who gave an overview of their work and there was time for a discussion with them.
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Xuejin Zhang, BIGCHEM ESR, about her experience at BIGCHEM first School
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"The BigChem Autumn School in Helmholtz Zentrum Munich was an excellent opportunity for me to meet professional scientists from both industry and university. The topics of the lectures given in the autumn school were very diverse and practical. These classes definitely have broadened my scope of knowledge and provide new ideas for my research project. After this one-week school, I also built strong friendships with other enthusiastic PhD participants from other countries."
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Dr. Pavel Polishchuk´s impressions of the students
"It was a pleasure to participate in The Autumn School and meet the students involved in the BIGCHEM project and their supervisors. All students were different. They are from different countries, have different expertise and background. But all of them are motivated and enthusiastic about their future that is inspiring. They quickly created the small friendly and harmonious community. There were many jokes and humor during free time and sessions as well. But at the same time their questions demonstrated their serious attitude towards studying. I strongly believe that all of them will be successful in their projects and will help to expand boarders of the science in the near future."
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BIGCHEM at TUM Open Doors Day
The Open Doors Day of the Technical University of Munich (TUM) took place at October 22nd in Garching campus. This event gives the opportunity to experience science and research up close and personal to the general public, students from high schools and universities. BIGCHEM was represented by two ESRs, Benedict Mutimba and Michael Withnall, who took care of BIGCHEM´s stand. They demonstrated chemoinformatics software and presented a poster to promote awareness about MC actions and the chemoinformatics field.
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Publications:
- Tetko I, Engkvist O, Koch U, Reymond JL, Chen H. BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry. Molecular Informatics, 2016, 35(11-12): 615-621 (Open Access).
- Tetko, I. V.; Engkvist, O.; Chen, H. BIGCHEM: Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed? Future Med. Chem. 2016, 8(15): 1801-1806 (Open Access).
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Meet BIGCHEM partners at:
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Next BIGCHEM Spring School
The next BIGCHEM School in 2017 will take place in Barcelona from 19th to 21st of April. This School will be open to students outside the BIGCHEM network and will focus on chemical databases.
More information and a link to the registration page will be provided soon at the BIGCHEM website.
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Subscription to BIGCHEM Newsletters
Please follow this link to subscribe to our newsletters. Until the end of the project (December 2019) six more Newsletters will be delivered.
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This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 676434.
Disclaimer: the newsletter reflects only the authors’ view and neither the European Commission nor the Research Executive Agency are responsible for any use that may be made of the information it contains.
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