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6th German Conference on Chemoinformatics, GCC 2010 Goslar, Germany. 7-9 November 2010. Abstracts.
Journal of Cheminformatics ( IF 7.1 ) Pub Date : 2011-04-19 , DOI: 10.1186/1758-2946-3-s1-i1
Frank Oellien , Uli Fechner , Thomas Engel

The Chemistry-Information-Computers (CIC) division [1] of the German Chemical Society (GDCh) invited the chemoinformatics and modeling community from the 7th to the 9th November 2010 to Goslar, Germany, to participate in the 6th German Conference on Chemoinformatics (GCC 2010). The international symposium addressed a broad range of modern research topics in the realm of computers and chemistry. The conference focused on recent developments and trends in the fields of

  • Chemoinformatics and Drug Discovery

  • Chemical Information, Patents and Databases

  • Molecular Modeling

  • Computational Material Science and Nanotechnology

In addition, contributions from other research areas of Computational Chemistry were welcome.

Similar to other conferences in the Life Science sector the German Conference on Chemoinformatics was faced with a decreasing number of participants in 2010. This is assumed to be mainly caused by travel cost cuts in industry due to the global economic crisis. Nevertheless, a large number of scientists (156 participants, Figure 1) from 18 nations were attracted by the excellent scientific program established by the scientific advisory board and attended the GCC 2010. The large number of attendees from countries other than Germany demonstrates that the conference is an internationally well-established event in the global Chemoinformatics and Modelling community (see Figure 2A). Despite the travel situation in industry, a good ratio between academic institutes, industry and exhibitors could be achieved (see Figure 2B).

Figure 1
figure1

Participants of the 6. German Conference on Chemoinformatics, November 7–9, 2010, Goslar, Germany.

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Figure 2
figure2

A) 156 participants from 18 nations attended the GCC2010. Most participants (99) were from Germany followed by 16 attendees from the United Kingdom. Participants from the USA and Switzerland followed on the third position with 6 attendees each. B) 56% of the participants work at academic institutes, 31% in industry and 13% are exhibitors.

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Traditionally, the conference was opened by a “Free-Software-Session” on Sunday afternoon right before the official conference opening at 5 pm. Six Open Source projects were presented in “Free-Software-Session”. This was the largest number of contributions to this session in the history of the GCC. The audience followed presentations of PostgreSQL (Bayer Business Services), OCHEM (Helmholtz Zentrum München), Knime (University of Konstanz), Indigo & Ketcher (SciTouch), and MosGrid (MosGrid Consortium). The “Chemoinformatics Market Place” took place at the same time and included software tutorials by the Chemical Computing Group (“New Features of MOE 2010”) and BioSolveIT (“Fragment-Based Lead Design in Teams”).

The scientific program started with an entertaining and enthralling evening lecture giving by Colleen Fitzpatrick (“Hand in Snow”). In addition, the program of the following two days included plenary lectures of six well known invited speakers from industry and academia (Wolfgang Guba, Roche, Swiss; Andrew R. Leach, GSK, UK; Hans Fraaije, Leiden University, The Netherlands; Jürgen Gmehling, Oldenburg University, Germany; Gerhard Klebe, Marburg University, Germany; Holger Gohlke, Düsseldorf University, Germany), 17 lectures as well as 43 poster presentations.

Besides the scientific program a special highlight of the conference were the awards (see Figure 3). In contrast to the last GCC in 2009, two different awards could be handed over for excellent scientific work this year. Prof. Jürgen Gmehling from the University of Oldenburg was presented with the Gmelin-Beilstein-Denkmünze [2] award for his groundbreaking contributions in the field of compound databases and fragment methods for the prediction of chemical properties used in technical chemistry. The laudatory speech was given by Prof. Onken and the award was handed over by the president of the German Chemical Society Prof. Michael Dröscher. Furthermore, the FIZ-CHEMIE-Berlin awards [3] took place on Monday afternoon. The CIC division awards this price each year to the best diploma thesis and the best PhD thesis in the field of Computational Chemistry. The price for the PhD thesis was awarded to Dr. Simone Fulle from the group of Prof. Dr. Holger Gohlke, Goethe University of Frankfurt for her dissertation “Constraint counting on RNA and ribosomal structures: Linking flexibility and function”. The award for the best diploma thesis was given to Karen Schomburg from the group of Prof. Matthias Rarey, University of Hamburg for her excellent master thesis with the title “Visualization of molecular subgraph pattern using the example of SMARTS pattern”.

Figure 3
figure3

FIZ CHEMIE Berlin Awards 2010 and GDCh Gmelin-Beilstein-Denkmünze Award: from left to right, Frank Oellien (Chair of the GDCh-CIC division), Ulfert Onken (Laudatory Gmelin-Beilstein-Denkmünze Award), Karen Schomburg (FIZ CHEMIE Berlin Awardee, best master thesis), Jürgen Gmehling (Gmelin-Beilstein-Denkmünze Awardee), Simone Fulle (FIZ CHEMIE Berlin Awardee, best PhD thesis), Michael Dröscher (President of the German Chemical Society), Rene de Planque (Head of the FIZ CHEMIE Berlin).

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  1. 1.

    GDCh CIC Division : [http://www.gdch.de/cic]

  2. 2.

    GDCh Gmelin-Beilstein-Denkmünze : [http://www.gdch.de/gdch/eps/preise/gmebei_dm.htm]

  3. 3.

    FIZ CHEMIE Berlin Award : [http://www.gdch.de/strukturen/fg/cic/cic_preise/fiz.htm]

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Affiliations

  1. GDCh-CIC Division Chair, Intervet Innovation GmbH, Zur Propstei, 55270, Schwabenheim, Germany

    Frank Oellien

  2. GDCh-CIC Division Board Member, Beilstein-Institut zur Förderung der Chemischen Wissenschaften, Trakehner Str. 7-9, 60487, Frankfurt, Germany

    Uli Fechner

  3. GDCh-CIC Division Co-Chair and Conference Chair, Fakultät für Chemie und Pharmazie, Universität München, Butenandtstr. 5-13, 81377, München, Germany

    Thomas Engel

Authors
  1. Frank OellienView author publications

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  2. Uli FechnerView author publications

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  3. Thomas EngelView author publications

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Corresponding author

Correspondence to Frank Oellien.

Open Access This article is distributed under the terms of the Creative Commons Attribution 2.0 International License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Oellien, F., Fechner, U. & Engel, T. German Conference on Chemoinformatics 2010 – organizers' notes. J Cheminform 3, I1 (2011). https://doi.org/10.1186/1758-2946-3-S1-I1

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中文翻译：
第六届德国化学信息学会议，GCC 2010 Goslar，德国。2010 年 11 月 7-9 日。摘要。

德国化学会 (GDCh)化学信息计算机 (CIC) 分会 [ 1 ]于 2010 年 11 月7日至 9日邀请化学信息学和建模界人士到德国戈斯拉尔参加第六届德国会议。化学信息学(GCC 2010)。国际研讨会讨论了计算机和化学领域的广泛现代研究课题。会议重点讨论了以下领域的最新发展和趋势

  • 化学信息学和药物发现

  • 化学信息,专利和数据库

  • 分子建模

  • 计算材料科学与纳米技术

此外，欢迎来自计算化学其他研究领域的贡献。

与生命科学领域的其他会议类似，德国化学信息学会议在 2010 年面临与会者人数减少的问题。据推测，这主要是由于全球经济危机导致行业旅行成本削减所致。尽管如此，来自18个国家的大量科学家（156名参与者，图1）被科学顾问委员会建立的优秀科学计划吸引并参加了GCC 2010。来自德国以外国家的大量与会者表明会议是全球化学信息学和建模界的国际知名事件（见图2A）。尽管行业存在旅游形势，但可以实现学术机构、行业和参展商之间的良好比例（见图2B）。

图1
图1

6. 德国化学信息学会议的参与者，2010 年 11 月 7-9 日，德国戈斯拉尔。

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图2
图2

A) 来自 18 个国家的 156 名参与者参加了 GCC2010。大多数参与者 (99) 来自德国，其次是 16 名参与者来自英国。来自美国和瑞士的参与者紧随其后，各有 6 人。B) 56% 的参与者在学术机构工作，31% 在工业界，13% 是参展商。

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传统上，会议是在周日下午 5 点正式会议开幕之前的“免费软件会议”中拉开序幕的。六个开源项目在“Free-Software-Session”中展示。这是 GCC 历史上为本届会议做出的贡献最多的一次。听众听了 PostgreSQL（拜耳商业服务）、OCHEM（慕尼黑亥姆霍兹中心）、Knime（康斯坦茨大学）、Indigo & Ketcher（SciTouch）和 MosGrid（MosGrid Consortium）的介绍。在“化学信息学市场广场”了在同一时间地点，包括软件教程由化学计算集团（“2010教育部的新特性”）和BioSolveIT（“片段为基础的团队引线设计”）。

科学计划以科琳·菲茨帕特里克（Colleen Fitzpatrick）（“雪中之手”）的有趣而迷人的晚间讲座开始。此外，接下来两天的计划包括来自工业界和学术界的六位知名受邀演讲者（Wolfgang Guba，瑞士罗氏；Andrew R. Leach，GSK，英国；Hans Fraaije，荷兰莱顿大学；Jürgen Gmehling，德国奥尔登堡大学；Gerhard Klebe，德国马尔堡大学；Holger Gohlke，德国杜塞尔多夫大学），17 场讲座以及 43 篇海报展示。

除了科学计划外，会议的一个特别亮点是奖项（见图3）。与 2009 年的上届 GCC 相比，今年可以为优秀的科学工作颁发两个不同的奖项。奥尔登堡大学的 Jürgen Gmehling 教授因其在化合物数据库和片段方法领域的开创性贡献而被授予 Gmelin-Beilstein-Denkmünze [ 2 ] 奖，以表彰他在技术化学中使用的化学性质预测方面的开创性贡献。Onken教授致辞，德国化学会主席Michael Dröscher教授颁奖。此外，FIZ-CHEMIE-Berlin 奖 [ 3] 发生在星期一下午。CIC 部门每年都会以这个价格奖励计算化学领域的最佳文凭论文和最佳博士论文。博士论文的价格由法兰克福歌德大学 Holger Gohlke 教授博士小组的 Simone Fulle 博士授予，她的论文“对 RNA 和核糖体结构的约束计数：链接灵活性和功能”。最佳文凭论文奖授予汉堡大学Matthias Rarey教授小组的Karen Schomburg，她的优秀硕士论文题为“使用SMARTS模式的分子子图模式的可视化”。

图 3
图3

2010 年 FIZ CHEMIE 柏林奖和 GDCh Gmelin-Beilstein-Denkmünze 奖：从左到右，Frank Oellien（GDCh-CIC 部门主席）、Ulfert Onken（Gmelin-Beilstein-Denkmünze 荣誉奖）、Karen Schomburg（FIZ CHEMIE 柏林奖获得者） ，最佳硕士论文）、Jürgen Gmehling（Gmelin-Beilstein-Denkmünze 奖获得者）、Simone Fulle（FIZ CHEMIE 柏林奖获得者，最佳博士论文）、Michael Dröscher（德国化学学会主席）、Rene de Planque（FIZ CHEMIE 负责人）柏林）。

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  1. 1.

    GDCh CIC事业部：[ http://www.gdch.de/cic ]

  2. 2.

    GDCh Gmelin-Beilstein-Denkmünze : [ http://www.gdch.de/gdch/eps/preise/gmebei_dm.htm ]

  3. 3.

    FIZ CHEMIE柏林奖：[ http://www.gdch.de/strukturen/fg/cic/cic_preise/fiz.htm ]

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隶属关系

  1. GDCh-CIC 部门主席，Intervet Innovation GmbH, Zur Propstei, 55270, Schwabenheim, Germany

    弗兰克·欧林

  2. GDCh-CIC 分部董事会成员，Beilstein-Institut zur Förderung der Chemischen Wissenschaften，Trakehner Str。7-9, 60487, 法兰克福, 德国

    乌利·费希纳

  3. GDCh-CIC 分部联合主席和会议主席，Fakultät für Chemie und Pharmazie，慕尼黑大学，Butenandtstr。5-13, 81377, 慕尼黑, 德国

    托马斯·恩格尔

作者
  1. Frank Oellien查看作者出版物

    您也可以在PubMed Google Scholar中搜索此作者 

  2. Uli Fechner查看作者出版物

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  3. Thomas Engel查看作者出版物

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通讯作者

致弗兰克·欧利恩( Frank Oellien) 的信件。

开放获取本文根据知识共享署名 2.0 国际许可 ( https://creativecommons.org/licenses/by/2.0 ) 的条款分发，该许可允许在任何媒体中不受限制地使用、分发和复制，前提是原创作品被正确引用。

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Oellien, F., Fechner, U. & Engel, T. German Conference on Chemoinformatics 2010 – 组织者的笔记。J Cheminform 3, I1 (2011)。https://doi.org/10.1186/1758-2946-3-S1-I1

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更新日期：2011-04-19
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