Deadline Extended for 2020 CSA Trust Grant Applications

Applications Invited for CSA Trust Grants for 2020 – Deadline Extended to April 17, 2020.

The Chemical Structure Association (CSA) Trust is an internationally recognized organization established to promote the critical importance of chemical information to advances in chemical research.  In support of its charter, the Trust has created a unique Grant Program and is now inviting the submission of grant applications for 2020.

Purpose of the Grants:

The Grant Program has been created to provide funding for the career development of young researchers who have demonstrated excellence in their education, research or development activities that are related to the systems and methods used to store, process and retrieve information about chemical structures, reactions and compounds.  One or more Grants will be awarded annually up to a total combined maximum of ten thousand U.S. dollars ($10,000).  Grantees have the option of payments being made in U.S. dollars or in British Pounds equivalent to the U.S. dollar amount. Grants are awarded for specific purposes, and within one year each grantee is required to submit a brief written report detailing how the grant funds were allocated. Grantees are also requested to recognize the support of the Trust in any paper or presentation that is given as a result of that support.

Who is Eligible?

Applicant(s), age 35 or younger, who have demonstrated excellence in their chemical information related research and who are developing careers that have the potential to have a positive impact on the utility of chemical information relevant to chemical structures, reactions and compounds, are invited to submit applications.  Proposals from those who have not received a Grant in the past will be given preference. While the primary focus of the Grant Program is the career development of young researchers, additional bursaries may be made available at the discretion of the Trust.  All requests must follow the application procedures noted below and will be weighed against the same criteria.

Which Activities are Eligible?

Grants may be awarded to acquire the experience and education necessary to support research activities; e.g. for travel to collaborate with research groups, to attend a conference relevant to one’s area of research (including the presentation of an already-accepted research paper), to gain access to special computational facilities, or to acquire unique research techniques in support of one’s research. Grants will not be given for activities completed prior to the grant award date.

Application Requirements

Applications must include the following documentation:

  1. A letter that details the work upon which the Grant application is to be evaluated as well as details on research recently completed by the applicant;
  2. The amount of Grant funds being requested and the details regarding the purpose for which the Grant will be used (e.g. cost of equipment, travel expenses if the request is for financial support of meeting attendance, etc.). The relevance of the above-stated purpose to the Trust’s objectives and the clarity of this statement are essential in the evaluation of the application);
  3. A brief biographical sketch, including a statement of academic qualifications and a recent photograph;
  4. Two reference letters in support of the application.  Additional materials may be supplied at the discretion of the applicant only if relevant to the application and if such materials provide information not already included in items 1-4.   A copy of the completed application document must be supplied for distribution to the Grants Committee and can be submitted via regular mail or e-mail to the Committee Chair (see contact information below).

Deadline for Applications

Application deadline for the 2020 Grant is April 17, 2020. Successful applicants will be notified no later than May 25, 2020.

Address for Submission of Applications

The application documentation can be mailed via post or emailed to:  Bonnie Lawlor, CSA Trust Grant Committee Chair, 276 Upper Gulph Road, Radnor, PA 19087, USA.  If you wish to enter your application by e-mail, please contact Bonnie Lawlor at chescot@aol.com prior to submission so that she can contact you if the e-mail does not arrive.

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Chemical Structure Association Trust:  Recent Grant Awardees

2019

Guilain Luchini, Colorado State University, Fort Collins, CO, was awarded funds to attend the Chemical Society Meeting that will be held August 24-29 in San Diego, CA to present his research in applying often-overlooked corrections to DFT frequency calculations in an automated fashion.

Roi Rutenberg, Chemistry Department at Stanford University, Stanford, CA, was awarded funds for travel to visit the University of Illinois, Chicago in order to model molecular dynamic (MD) simulations at the Kral group as part of his research related to retrieving information about pEtN cellulose’s chemical structure as an individual compound, as well as a partner in future chemical reactions.

Monika Szabo, Monash Institute of Pharmaceutical Sciences, Monash University, Victoria, Australia, was awarded funds for travel to attend two conferences at which she will present her research on drugs for myelofibrosis. The conferences are: EFMC-ASMC’19 International Symposium on Advances in Synthetic and Medicinal Chemistry – Athens Greece; 1st-5th September 2019, and the 20th SCI/RSC Medicinal Chemistry Symposium-Cambridge UK; 8th-11th September, 2019.

2018

Stephen Capuzzi, Division of Chemical Biology and Medicinal Chemistry at the University of North Carolina Eshelman School of Pharmacy, Chapel Hill (USA), was awarded a Grant to attend the 31th ICAR in Porto, Portugal from 06/11/2018 to 06/15/2018, where he presented his research entitled “ComputerAided Discovery and Characterization of Novel Ebola Virus Inhibitors.”

Christopher Cooper, Cavendish Laboratory, University of Cambridge, UK, was awarded a Grant to present his current research on systematic, high-throughput screening of organic dyes for co-sensitized dye-sensitized solar cells. He presented his work at the Solar Energy Conversion Gordon Research Conference and Seminar held June 16-22, 2018 in Hong Kong.

Mark Driver, Chemistry Department, University of Cambridge, UK,was awarded a Grant to offset costs to attend the 7th EUCheMS conference where he will present a poster on his research that focuses on the development and applications of a theoretical approach to model hydrogen bonding.

Geqing Wang, La Trobe Institute for Molecular Sciences, La Trobe University, Australia, was awarded a Grant to present his work at the Fragment-Based Lead Discovery Conference (FBLD2018) in San Diego, USA in October 2018. The current focus of his work is the development of novel anti-virulence drugs which potentially overcome the problems of antibiotic resistance of Gram-negative bacteria.

Roshan Singh, University of Oxford, UK, was awarded a Grant to conduct research within Dr. Marcus Lundberg’s Group at Uppsala University, Sweden, as part of a collaboration that he has set up between them and Professor Edward Solomon’s Group at Stanford University, California. He conducts research within Professor John McGrady’s group at the University of Oxford. The collaboration will look to consolidate the experiments studies on heme Fe (IV)=O complexes currently being studied by Solomon’s Group with future multi-reference calculations to be conducted within Lundberg’s Group. 

2017

Jesus Calvo-Castro: University of Hertfordshire, England, was awarded a Grant to cover travel to present his work at the Fifth International Conference on Novel Psychoactive Substances to be held in Vienna, Austria from August 23-23, 2017.  He works on the development of novel methodologies for the in-the-field detection of novel psychoactive substances (NPS), where chemical structure and information play a crucial role

Jessica Holien: St. Vincent’s Institute of Medical Research, Fitzroy, Victoria, Australia,was awarded a Grant to cover travel to present her work at the 2017 Computer-Aided Drug Design (CADD) Gordon Research Conference scheduled to take place July 16-21, 2017 in Mount Snow, VT, USA. She is a Postdoctoral researcher at St. Vincent’s and is responsible for a range of computational molecular modelling including; compound database development, virtual screening, docking, homology modelling, dynamic simulations, and drug design.

2016

Thomas Coudrat: Monash University, Australia, was awarded a Grant to cover travel to present his work at three meetings in the United States: the Open Eye Scientific CUP XVI, The American Chemical Society Spring Meeting, and the Molsoft ICM User Group Meeting. His work is in ligand directed modeling.

Clarisse Pean: Chimie Paris Tech, France, was awarded a Grant to cover travel to give an invited presentation at the 2016 Pacific Rim Meeting on Electrochemical and Solid State Science later this year. 

Qian Peng: University of Oxford, England, was awarded a Grant to attend the 23rd IUPAC Conference on Physical Organic Chemistry. His research is in the development of new ligands for asymmetric catalysis.

Petteri Vainikka: University of Turku, Finland, was awarded a Grant to spend the summer developing and testing new methods for modelling organic solvents in organic solutions with Dr. David Palmer and his group at the University of Strathclyde, Glasgow, Scotland.  

Qi Zhang: Fudan University, China, was awarded a Grant to attend a Gordon Conference on Enzymes, coenzymes and metabolic pathways. His research is in enzymatic reactions. 

2015

Dr. Marta Encisco:  Molecular Modeling Group, Department of Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Australia was awarded a Grant to cover travel costs to visit collaborators at universities in Spain and Germany and to present her work at the European Biophysical Societies Association Conference in Dresden, Germany in July 2015.

Jack Evans: School of Physical Science, University of Adelaide, Australia was awarded a grant to spend two weeks collaborating with the research group of Dr. Francois-Xavaier Coudert (CNRS, Chimie Paris Tech).

Dr. Oxelandr Isayer: Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmaacy, University of North Carolina at Chapel Hill, was awarded a Grant to attend summer classes at the Deep Learning Summer School 2015 (University of Montreal) to expand his knowledge of machine learning to include Deep Learning (DL). His goal is to apply DL to chemical systems to improve predictive models of chemical bioactivity.

Aleix Gimeno Vives: Cheminformatics and Nutrition Research Group, Biochemistry and Biotechnology Dept.,Universitat Rovira I Virgili was awarded a Grant to attend the Cresset European User Group Meeting in June 2015 in order to improve his knowledge of the software that he is using to determine what makes an inhibitor selective for PTP1B.

2014

Dr. Adam Madarasz: Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences. He was awarded a Grant for travel to study at the University of Oxford with Dr. Robert S. Paton, a 2013 CSA Trust Grant winner, in order to increase his experience in the development of computational methodology which is able to accurately model realistic and flexible transition states in chemical and biochemical reactions.

Maria José Ojeda Montes: Department of Biochemistry and Biotechnology, University Rovira i Virgili, Spain. She was awarded a Grant for travel expenses to study for four months at the Freie University of Berlin to enhance her experience and knowledge regarding virtual screening workflows for predicting therapeutic uses of Natural molecules in the field if functional food design.

Dr. David Palmer: Department of Chemistry, University of Strathclyde, Scotland.  He was awarded a Grant to present a paper at the fall 2014 meeting of the American Chemical Society on a new approach to representing molecular structures in computers based upon on ideas from the Integral Equation Theory of Molecular Liquids.

Sona B. Warrier:  Departments of Pharmaceutical Chemistry, Pharmaceutical Biotechnology, and Pharmaceutical Analysis, NMIMS University, Mumbai. She was awarded a Grant to attend the International Conference on Pure and Applied Chemistry to present a poster on her research on inverse virtual screening in drug repositioning.

2013

Dr. Johannes Hachmann: Department of Chemistry and Chemical Biology at Harvard University, Cambridge, MA.   He was awarded the Grant for travel to speak on “Structure-property relationships of molecular precursors to organic electronics at a workshop sponsored by the Centre Européen de Calcul Atomique et Moléculaire (CECAM) that will take place October 22 – 25, 2013 in Lausanne, Switzerland. .

Dr. Robert S. Paton: University of Oxford, UK.  He was awarded the Grant to speak at the Sixth Asian Pacific Conference of Theoretical and Computational Chemistry in Korea on July 11, 2013. Receiving the invitation for this meeting has provided Dr. Paton with an opportunity to further his career as a Principal Investigator.

Dr. Aaron Thornton: Material Science and Engineering at CSIRO in Victoria, Australia. He was awarded the Grant to attend the 2014 International Conference on Molecular and Materials Informatics at Iowa State University with the objective of expanding his knowledge of web semantics, chemical mark-up language, resource description frameworks and other on-line sharing tools.  He will also visit Dr. Maciej Haranczyk, a prior CSA Trust Grant recipient, who is one of the world leaders in virtual screening.

2012

Tu C. Le: CSIRO Division of Materials Science & Engineering, Clayton, VIV, Australia. She was awarded the Grant for travel to attend a Cheminformatics course at Sheffield University and to visit the Membrane Biophysics group of the Department of Chemistry at imperial College London.

2011

B. Brown: Kyoto University, Kyoto, Japan. J.B. was awarded the Grant for travel to work with Professor Ernst Walter-Knappat the Freie University of Berlin and Professor Jean-Phillipe Vert of the Paris MinesTech to continue his work on the development of atomic partial charge kernels

2010

Noel O’Boyle:  University College Cork, Ireland. Noel was awarded the grant to both network and present his work on open source software for pharmacophore discovery and searching at the 2010 German Conference on Cheminformatics. 

2009 

Laura Guasch Pamies: University Rovira & Virgili, Catalonia, Spain.  Laura was awarded the Grant to do three months of research at the University of Innsbruck, Austria.

2008

Maciej Haranczyk:  University of Gdansk, Poland. Maciej was awarded the Grant to travel to Sheffield University, Sheffield, UK, for a 6-week visit for research purposes.

2007

Rajarshi Guha:  Indiana University, Bloomington, IN, USA. Rajarshi was awarded the Grant to attend the Gordon Research Conference on Computer Aided Design in August 2007.

2006

Krisztina Boda: University of Erlangen, Erlangen, Germany.    Krisztina was awarded the Grant to attend the 2006 spring National Meeting of the American Chemical Society in Atlanta, GA, USA.

2005

Dr. Val Gillet and Professor Peter Willett: University of Sheffield, Sheffield, UK.  They were awarded the Grant for student travel costs to the 2005 Chemical Structures Conference held in Noordwijkerhout, the Netherlands.

2004  

Dr. Sandra Saunders: University of Western Australia, Perth, Australia. Sandra was awarded the Grant to purchase equipment needed for her research.

2003

Prashant S. Kharkar: Institute of Chemical Technology, University of Mumbai, Matunga, Mumbai. Prashant was awarded the Grant to attend the conference, Bioactive Discovery in the New Millennium, in, Lorne, Victoria, Australia (February 2003) to present a paper, The Docking Analysis of 5-Deazapteridine Inhibitors of Mycobacterium avium complex (MAC) Dihydrofolate reductase (DHFR).

2001

Georgios Gkoutos: Imperial College of Science, Technology and Medicine, Dep. of Chemistry. London, UK. Georgios was awarded the Grant to attend the conference, Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, (CMTPI-2001) in Bordeaux, France, to present part of his work on internet-based molecular resource discovery tools.

CSA Trust 2021 Mike Lynch Award – Call for Nominations

The Chemical Structure Association Trust is calling for nominations for the 2021 Mike Lynch Award.

The CSA Trust is an internationally-recognised, registered charity which promotes education, research and development in fields related to chemical structures and cheminformatics.

The Mike Lynch Award recognises and encourages outstanding accomplishments in education, research and development activities that are related to the systems and methods used to store, process and retrieve information about chemical structures, reactions and properties. The awardee will receive an honorarium and memento, and will be invited to make a presentation at a suitable chemistry conference.

To make a nomination, please submit (a) an account of the nominee’s accomplishments and the specific relevant work that is to be recognized (maximum one page); and (b) a brief biographical sketch, including a statement of academic qualifications, and contact information. These should be submitted by email to the Secretary of the CSA Trust by  May 31, 2020.

Nominations of previous winners of other awards are welcome, provided that the specific relevant work to be recognized for the Mike Lynch Award is distinct from that for which the other award was presented.

All nominations will be reviewed by the CSA Trustees, and the awardee will be announced at the Fall American Chemical Society National Meeting to be held in San Francisco in August 2020.

Mike Lynch is the Professor Emeritus in the Information School of the University of Sheffield, England, and is an acknowledged cheminformatics pioneer. The Mike Lynch Award was instituted in 2002, and the previous winners listed below received their awards and made presentations at the triennial International Conference on Chemical Structures, Noordwijkerhout, Netherlands.

2018:  Rudy Potenzone: 40+ year career as a provider of in-house informatics services and a creator and implementer of innovative informatics software solutions including SciFinder.

2014:  Steve Heller, Alan McNaught, Igor Pletnev, Steve Stein, Dmitrii Tchekhovskoi: conception and development of the IUPAC International Chemical Identifier InChI.

2011:  Engelbert Zass: lifetime career devoted to education in chemical information with an emphasis on database searching and the role of the intermediary.

2008:  Alexander (Sandy) Lawson: major contributions to chemical information handling and structure representation, particularly in the development of the Beilstein database and software.

2005:  Johann Gasteiger: outstanding accomplishments in the fields of computational chemistry and structure elucidation.

2002:  Peter Willett: pioneering work in maintaining and nurturing an academic centre of excellence in cheminformatics teaching and research with an emphasis on computational techniques for the processing of chemical and biological information.

 

CSA Trust Grant: 2019 Awardees

Guilian_Luchini  Rol_Rutenberg  Monika_Szabo

Guilain Luchini, Colorado State University, Fort Collins, CO, was awarded funds to attend the Chemical Society Meeting that will be held August 24-29 in San Diego, CA to present his research in applying often-overlooked corrections to DFT frequency calculations in an automated fashion.

Roi Rutenberg, Chemistry Department at Stanford University, Stanford, CA, was awarded funds for travel to visit the University of Illinois, Chicago in order to model molecular dynamic (MD) simulations at the Kral group as part of his research related to retrieving information about pEtN cellulose’s chemical structure as an individual compound, as well as a partner in future chemical reactions.

Monika Szabo, Monash Institute of Pharmaceutical Sciences, Monash University, Victoria, Australia, was awarded funds for travel to attend two conferences at which she will present her research on drugs for myelofibrosis. The conferences are: EFMC-ASMC’19 International Symposium on Advances in Synthetic and Medicinal Chemistry – Athens Greece; 1st-5th September 2019, and the 20th SCI/RSC Medicinal Chemistry Symposium-Cambridge UK; 8th-11th September, 2019.

Applications Invited for CSA Trust Grant for 2020

The Chemical Structure Association (CSA) Trust is an internationally recognized organization established to promote the critical importance of chemical information to advances in chemical research. In support of its charter, the Trust has created a unique grant program and is now inviting the submission of grant applications for 2020.

Purpose of the Grants

The grant program has been created to provide funding for the career development of young researchers who have demonstrated excellence in their education, research, or development activities that are related to the systems and methods used to store, process, and retrieve information about chemical structures, reactions, and compounds. One or more grants will be awarded annually up to a total combined maximum of ten thousand U.S. dollars ($10,000). Grantees have the option of payments being made in U.S. dollars or in British pounds equivalent to the U.S. dollar amount. Grants are awarded for specific purposes, and within one year, each grantee is required to submit a brief written report detailing how the grant funds were allocated. Grantees are also requested to recognize the support of the trust in any paper or presentation that is given as a result of that support.

The application deadline for the 2020 grant is March 28, 2020. Successful applicants will be notified no later than May 7, 2020.

More details

Top Ten New Emerging Technologies in Chemistry

The new IUPAC Intiative to identify the Top Ten Emerging New Technologies in Chemistry was successful this year so it is being repeated for 2020.  To submit ideas for consideration, go to https://iupac.org/what-we-do/top-ten/ to access the form and see the Top Ten that were selected for 2019. The final date for submissions is Oct. 31, 2019.  The next group will be published in the April 2020 issue of Chemistry International.

Dr. Wendy Warr, CSA Trustee, is Recipient of the 2020 Herman Skolnik Award

Dr. Wendy Warr will be the recipient of the 2020 Herman Skolnik Award presented by the ACS Division of Chemical Information, for her contributions to the fields of chemical information and a number of related fields that impinge on chemical information including chemical structure representation, substructure searching, retrosynthesis and reaction prediction

The prize consists of a $3,000 honorarium and a plaque. Dr. Warr will also be invited to organize an award symposium at the Fall 2020 ACS National Meeting to be held in San Francisco.

For more than 40 years, Dr. Warr has had a global influence on chemical information and cheminformatics. She provides services to the chemical information, cheminformatics and computational chemistry communities worldwide, and has evolved into a key opinion leader and trend watcher. These trends have included: combinatorial chemistry, chemistry and the Internet, and intranet and ethernet in industry (these three in the early 1990s), outsourcing, changing pharma R&D strategies (these two in the early 2000s), and continue to today’s AI, cloud computing, and blockchain.

She formed her current employment, Wendy Warr & Associates, in 1992. Since that time she has been successfully supplying business and competitive intelligence services to a broad spectrum of clients across the world. Her success stems from her extensive network, incredible energy, and deep curiosity, and her specialized market knowledge of chemical information, computational chemistry, drug discovery, cheminformatics, STM publishing, and scientific communication. Her clients have included at least 15 major pharmaceutical and chemical companies, venture capitalists, financial analysts, all of the well-known chemistry publishers, software companies, and many cheminformatics and analytical chemistry companies, as well as many smaller commercial and not-for-profit or academic organizations. Scientific database producers have benefited from her expert counsel and services in recent years.

Dr. Warr obtained her doctoral degree (D. Phil.) from the University of Oxford in 1971, and subsequently joined ICI Pharmaceuticals where she held multiple positions culminating in leading the department of Information Services. In 1992, Dr. Warr established her own company, Wendy Warr & Associates, that provides business and competitive intelligence services to a broad spectrum of clients in the United States, Europe, Australia, the Middle East, and Asia.

She has played key roles in several professional organizations including the American Chemical Society, Royal Society of Chemistry, German Chemical Society, Society of Chemical Industry, Chemical Structure Association Trust  and the Institute of Information Scientists, and in many cases has been instrumental in shaping their activities.

She has published over 80 articles in academic journals and over 100 commercial reports, along with numerous invited lectures at venues such as NIST, Washington DC and University of Strasbourg, France. She has been an Associate Editor for the Journal of Chemical Information and Modeling (as well as its predecessor, the Journal of Chemical Information and Computer Sciences).  She has received numerous awards and honors including the Ernie Hyde Award of the Chemical Structure Association (1984), and is a Fellow of the Royal Society of Chemistry and a Fellow of the Chartered Institute of Library and Information Professionals.

Rajarshi Guha

Chair, CINF Awards Committee

awards@acscinf.org

Applications Invited for CSA Trust Grants for 2019 – 19th April, 2019 Deadline

The Grant Program was created to provide funding for the career development of young researchers who have demonstrated excellence in their education, research or development activities that are related to the systems and methods used to store, process and retrieve information about chemical structures, reactions and compounds. Applicant(s), age 35 or younger, who have demonstrated excellence in their chemical information related research and who are developing careers that have the potential to have a positive impact on the utility of chemical information relevant to chemical structures, reactions and compounds, are invited to submit applications.  Application deadline for the 2019 Grant is 19th April 2019.

11th International Conference on Chemical Structures on May 27-31 2018, Noordwijkerhout, The Netherlands

The 11th International Conference on Chemical Structures (ICCS) will take place in 2018. It will continue a well-established conference series that begun in 1973 as a workshop on Computer Representation and Manipulation of Chemical Information sponsored by the NATO Advanced Study Institute and thereafter was held under its new name every third year starting in 1987. The 2018 conference will build on the experience of the past successful editions to offer a strong scientific program which covers all aspects of cheminformatics and molecular modeling, including for example structure-activity relationships, virtual screening, modeling metabolite networks, etc. Participants discuss research as well as relevant technological and algorithm developments in handling and visualization of chemical structure data, workflows for complex cheminformatic analysis and machine learning. The conference fosters cooperation among organizations and researchers involved in the increasingly interwoven fields of cheminformatics and bioinformatics and combines in-depth technical presentations with ample opportunities for one-on-one discussions with the presenters.

The 11th edition will be held, one year out of phase with the intended triennial frequency, from 27-31 May 2018 at the beautiful Conference Center in Noordwijkerhout, The Netherlands.

The conference is jointly supported by:

  • Division of Chemical Information of the American Chemical Society (ACS)
  • Chemical Structure Association Trust (CSA Trust)
  • Division of Chemical Information and Computer Science of the Chemical Society of Japan (CSJ)
  • Chemistry-Information-Computer Division of the German Chemical Society (GDCh)
  • Royal Netherlands Chemical Society (KNCV)
  • Chemical Information and Computer Applications Group of the Royal Society of Chemistry (RSC)
  • Swiss Chemical Society (SCS)

For more information, please see: http://www.int-conf-chem-structures.org/home.html

Chemical Structure Association Trust to Present Mike Lynch Award to Dr. Rudy Potenzone

April 11, 2018: The Chemical Structure Association Trust (CSA Trust) is pleased to announce that it will present the triennial Mike Lynch Award to Dr. Rudy Potenzone. The purpose of the Award is to recognize and encourage outstanding accomplishments in education, research and development activities that are related to the systems and methods used to store, process and retrieve information about chemical structures, reactions and properties, and the award is named after Professor Mike Lynch, who was a pioneer in cheminformatics and the Honorary President of the Chemical Structure Association.

Rudy Potenzone is a seasoned veteran in molecular modeling, cheminformatics, and bioinformatics, and as well as being an expert practitioner of the art, he has led teams to deliver cutting-edge software products for researchers and scientists for over 25 years. He thus fully embodies the characteristics required of a recipient of the Mike Lynch Award.

Rudy’s career in informatics started at American Cyanamid, where he led a team to support 500 users of the Chemical Group Research Division. He moved to Polygen/Molecular Simulations (now part of BIOVIA) and managed a team that developed the QUANTA and CHARMm molecular modeling systems.

Rudy then moved to cheminformatics, chemical literature, and information retrieval, and as Director of the Research and New Product Development Department at Chemical Abstracts Service (CAS) played a key role in planning and developing the SciFinder product which opened up the world of published chemical information and literature directly to chemists via its intuitive graphical user interface. After CAS, Rudy focused on systems to manage internally generated information, and at Molecular Design Ltd. (MDL – now part of BIOVIA) he oversaw the development of the Isentris system to replace ISIS, as well as Assay Explorer for managing screening information, and DiscoveryGate for unified access to published data. From MDL, he moved to LION Biosciences as CEO of US Operations, working on the strategic plan for the company’s innovative integrated information platform.

From LION, Rudy moved on to bioinformatics, and at Ingenuity Systems (now part of Qiagen), he developed the roadmap for a comprehensive, human-curated biological pathway knowledgebase and associated tools. Rudy then moved back to internal chemical information management at CambridgeSoft (now part of PerkinElmer) where he managed teams working on electronic lab notebooks, and eventually oversaw the full cheminformatics product portfolio of PerkinElmer Informatics. From PerkinElmer, Rudy moved to Microsoft and exploited his extensive customer and product experience to direct Microsoft’s efforts as worldwide industry strategist for the pharmaceutical industry, including products such as SQL Server, FAST, Office, Azure, HPC, and CRM.

Rudy is currently VP of Marketing for the TranSMART Foundation, which is an emerging global, open source, public/private partnership community that is developing a comprehensive, informatics-based analysis and data-sharing cloud platform for clinical and translational research.

Rudy’s career and contributions have spanned the whole gamut of informatics disciplines that impact the biopharma industry; and they have also kept pace with and anticipated the evolution of informatics tools from individual, chemistry-focused, point applications to today’s open source, cloud-based, bench-to-bedside informatics platforms.

The CSA Trust is pleased to recognize and honor Rudy’s substantial contributions to cheminformatics with the Mike Lynch Award, which will be presented at the 11th International Conference on Chemical Structures (http://www.int-conf-chem-structures.org/) to be held in the Netherlands in May 2018.

About the CSA Trust
The CSA Trust (www.csa-trust.org) is an internationally-recognized, registered charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds.

Contact
Phil McHale, CSA Trust Awards Committee
phil.mchale@comcast.net

 

 

Beilstein Bozen Symposium 2018 Information and Noise: Chemistry, Biology and Evolution Creating Complex Systems on 5-7 June 2018

The Beilstein Bozen Symposium 2018 on Information and Noise: Chemistry, Biology and Evolution Creating Complex Systems will be held on 5–7 June 2018, in the Hotel Jagdschloss Niederwald, Rüdesheim, Germany.

This symposium will address the chemical and information processes involved in the creation of complex systems. This covers areas of research where chemistry, physics, biology and informatics come together. It will examine not only current theories for molecular evolution – but will also cover transitions in information: from chemistry to biology to life; how do complex molecules arise; what defines a complex chemical system; systems biology, compartmentalization and networks; chemistry and information; evolutionary biology and minimum sufficient information for evolution to start; retrosynthesis (microbiology definition) of metabolic pathways.

Registration is open; please see our website for more details: http://www.beilstein-institut.de/en/symposia/bozen

Talks will be on the 5th, 6th and 7th June. Traveling to and from on the 4th and 8th.

Speakers include:

Stefan T. Arold / King Abdullah University of Science and Technology, Saudi Arabia
Luca Cardelli / Microsoft Research
Irene Chen / University of California, Santa Barbara, USA
Tim Clark / Friedrich Alexander University Erlangen-Nürnberg, Germany
Lee Cronin / University of Glasgow, UK
Antoine Danchin / Institute of Cardiometabolism and Nutrition, Paris, France
Ken A. Dill / Stony Brook University, New York, USA
Andrew Ellington / The University of Texas at Austin, USA
Ramon Grima / University of Edinburgh, UK
Philipp Holliger / MRC Laboratory of Molecular Biology, Cambridge, UK
Ulrich Kutschera / University of Kassel, Germany
Victor de Lorenzo / Centro Nacional de Biotecnologia, Madrid, Spain
Lara K. Mahal / New York University, USA
Thomas Ouldridge / Imperial College London, UK
Juli Peretó / Universitat de Valencia, Paterna, Spain
Doug Philip / University of St. Andrews, UK
Kepa Ruiz-Mirazo / University of the Basque Country, San Sebastian, Spain
Susan Stepney / University of York, UK
Ajit Varki / University of California, San Diego, USA
David H. Wolpert / Santa Fe Institute, USA

The Beilstein-Institut hosts this interdisciplinary symposium every two years. The secluded setting and the limited number of participants, provide a very convivial atmosphere for the ready exchange of thoughts and ideas. Please see our website for information about previous and other symposia: www.beilstein-symposia.org

There are still some slots available for poster presentations. Please see the website for more information.

The hotel is located on the Rheingau heights above Rüdesheim.  Rüdesheim is located ca. 50 km west of Frankfurt airport which can be reached by almost all airlines from Europe and Overseas. Travel by train is via Mainz and Wiesbaden to Rüdesheim.

We would be delighted to be able to welcome you there. If you have any questions please do not hesitate to get in touch.

Martin G. Hicks, Ph.D.
Beilstein-Institut
http://www.beilstein-institut.de
mhicks@beilstein-institut.de