Applications Invited for CSA Trust Grants for 2026

The deadline for the 2026 Grant applications is April 17, 2026. Successful applicants will be notified no later than May 30, 2026.

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 2026.

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 because of that support.

Who is Eligible?

Applicant(s) in the early stages of their career 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. Applicants must be within five years of obtaining their PhD. Note that 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. Funding for 2026 will not be extended beyond December 31, 2026.

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

The deadline for the 2026 Grant applications is April 17, 2026. Successful applicants will be notified no later than May 30, 2026.

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.

Chemical Structure Association Trust:  Recent Grant Awardees

2025

Dr. Haoxin Mai, a Research Fellow at the Advanced Porous Materials Laboratory at the School of Science, RMIT University, Melbourne, Australia, was awarded $3,177 (U.S.) to support an overseas visit to Prof. Quan Phung’s laboratory in Nagoya university, Japan, and Dr. Dieb Sae’s laboratory at the National Institute for Materials Science (NIMS), Japan. He will be involved in a project to develop an effective model for the design of highly-efficient and economical photocatalysts for solar-driven hydrogen production. The strategy to achieve this is to use Machine Learning techniques and theoretical calculations to study the structure-property relations and guide the design and synthesis of metal-ion-doped SrTiO3 nanoparticles. The construction of ML models and the application of density functional theory (DFT) calculations will reveal the underlying structure-property relationships and identify design rules or doped SrTiO3 nanoparticles with high solar-to-hydrogen conversion efficiency.

Dr. Kohulan Rajan, a Postdoctoral researcher in Prof. Christoph Steinbeck’s group at Friedrich Schiller University Jena focusing on building practical tools that help scientists extract, understand, and share chemical Information more effectively, was awarded $3,500 (U.S.) to attend one of three conferences that are directly relevant to his research in chemical information science and AI-driven cheminformatics (ICANN 2025, ICDAR 2025, and the 8th RSC AI in Chemistry symposium).

Julia Kaczmarek, currently a PhD student at the University of Manchester, U.K., was awarded $2,977 (U.S.) to fund a research visit to Dr. Juan V. Alegre Requena’s group at the University of Zaragoza, Spain from October to December of 2025. The visit is crucial to her development of an automated software tool for mechanistic studies in catalysis, combining cheminformatics, quantum chemistry, and Machine Learning. She will be working with Dr. Alegre Requena, Dr. David Dalmau, and Miguel Fernandez who will help in accelerating the tool development.

2024

Ariadna Peiro, a PhD student in the Cheminformatics and Nutrition Research Group at  Rivira i Virgili University, Spain, was awarded1,858 Euros to attend summer courses at the Strasbourg summer school in Cheminformatics.  While there she won the best Poster prize. Her thesis focuses on the fields of virtual screening and drug discovery, with an emphasis on SARS-CoV-2 Proteases. She is involved in a project called NEXT-PANDEMICS that was created after the coronavirus pandemic in response to the vast amount f data generated from vaccine and antiviral research. The main objective of the project is to develop new open-source tools to enhance the effectiveness of virtual screening and predict binding affinity in silico. Additionally, these tools will be applied to determine a list of leads to search for antivirals. Moreover, this discovery would be applied to Zika and Dengue viruses.

Nils van Staalduinen, a PhD candidate at the Institute for Physical Chemistry, RWTH Aachen Germany, was awarded 4,530 Euros that will be allocated as follows: financial support for research visits to the laboratory of Professor Todd Martinez for the integration of MolBar into the Nanoreactor at Stanford University (CA) and payment of travel expenses to attend two conferences –  the 2024 German Cheminformatics Conference and the 2024 RDKit UGM. His research concentrates on MolBar, a molecular identifier for chemical structure databases. MolBar was launched in March 2024 and has since been downloaded several hundred times. He balances his PhD work with a role at BASF SE, where he further develops chemical database pipelines with a focus on cheminformatics algorithms that streamline molecule registration and tautomer searchers.

Ivan Yankov, a PhD student at the University of Strathclyde (U.K), was awarded 2,815 Euros in support of his travel for a month-long visit to the BioNMR group, ETH Zurich where he will be extending his research. In addition, he will present his research findings at a related conference. His research is focused on integrating Artificial Intelligence (AI)  methods into computational design across drug discovery, drug development, and structure determination of biological materials, with the goal of accelerating in-silico design pipelines by modelling thermodynamic properties of nucleic acids and their complexes.

2023

David Dalmau Ginesta, who was developing cheminformatics and machine learning tools applicable to various sectors of computational chemistry, was awarded $2,100 to attend two international conferences (the RSEQ XXXIX Biennial Meeting in Zaragoza (Spain), June 25-29, 2023, and the ACS fall national meeting in San Francisco (USA), August 13-17, 2023.

Heidi Klem, who received her PhD from Colorado State University (USA) in June 2023 and was selected to be a National Research Council postdoctoral associate at the U.S. National Institute of Standards and Technology (NIST) as of August 2023, was awarded $3,700 to spend a month visiting Professor Zhongyue John Yang at Vanderbilt University, Nashville, TN (USA) for one month. Prof. Yang is the SC Family Dean’s Faculty Fellow and an Assistant Professor of Chemistry, Chemical Engineering, and Data Science.

Dr. Md Bin Yeamin, a postdoctoral fellow at the University of Girona, researching dual catalysis in alkyne functionalization and  predictive catalysis in hydrogenation and CO2 fixation, was awarded.

$1,330to be used towards a month-long research stay at the Alegre group at ISQCH Institute of CSIC-Universidad de Zaragona to launch a collaborative project on predicting catalytic performances and reaction mechanisms from data-driven automated machine learning (ML) methods and to give an oral presentation at the XXXIX Biennial Meeting – Spanish Royal Society of  Chemistry (RSEQ) 2023 under the symposium S15. Recent trends in organometallic  Reactivity.         

2022

Dr. Juan V. Alegra Requena, of the University of Zaragoza, Spain where he was establishing his own research group focusing on computational mechanisms and Machine Learning, was awarded

$1,892 for travel to present his work at the RSEQ XXXVIII Biennial meeting in Granada, Spain in June, 2022 and the 8th EuChemS Chemistry Congress in Lisbon, Portugal in September 2022.

Dr. Beatrice Chiew is a postdoc at the University of Newcastle, Australia, where she was 

working on drug development in the space of Dynamin endocytosis inhibitors, was awarded $4,034 to present her work at the Royal Australian Chemistry Institute National Congress in July 2022 and the EFMC International symposium on medicinal chemistry in September 2022.

2021

Call for Grant proposals not circulated due to the pandemic.

2020

Daniel Csókás, a member of Professor Imre Pápai’s research team at the Research Centre for Natural Sciences, Budapest, Hungary was awarded $,4000 to travel to the University of Bristol (UK) to expand the scope of his experience in computational chemistry and to acquire new skills and research techniques in the area of data-led catalyst design. The project will involve the creation of a ligand knowledge base for tridentate ligands using calculated descriptors. The database will then be processed to retrieve structural and reactivity information about tridentate ligands and their transition metal complexes. The award is pending the lifting of travel restrictions due to the pandemic.

Andrew Tarzia, a Research Associate at the Imperial College London, was awarded $3,500 to visit Asst. Prof. Cory Simon at Oregon State University for three weeks in 2021 to initiate a collaboration in the use of machine learning algorithms to predict host-guest finding affinities based upon molecular shapes. The award is pending the lifting of travel restrictions due to the pandemic.  

Nicola Knight, an Enterprise Research Fellow – Physical Sciences Data-Science Service (PSDS) at the University of Southampton (UK) where she works with the newly-established national research facility to provide access to chemistry and physical sciences data at a national scale and to increase not only the breadth of the data, but also the ways in which the data can be used by the scientific community. She was awarded $2,500 to fund efforts related to a knowledge sharing retreat that will involve four early-career researchers (ECRs) from a cross section of research domains to participate in a 3-day workshop on the depiction of chemical information using the FAIR principles.

Cheminformatics: A Digital History Series Published by RSC CICAG

The Royal Society of Chemistry’s Interest Group ‒ Chemical Information and Computer Applications Group (RSC CICAG) is publishing a series of articles in the RSC CICAG Newsletter/CICAG Distillate that “aims to describe the origins and early days of cheminformatics from the viewpoints of some of those who were involved at the time.”  This list will be updated as new articles become available.

Willett, Peter. Cheminformatics: A Digital History – Part 1. Early Days at Sheffield: A Personal Perspective. RSC CICAG Newsletter, Summer 2022, 23-28. (PDF)

Rzepa, Henry S. Cheminformatics: A Digital History ‒ Part 2. A Personal Perspective of the Role of the Web During the Period 1993-1996. RSC CICAG Newsletter, Winter 2022-23, 9-12. (PDF)

Gasteiger, Johann. Cheminformatics: A Digital History ‒ Part 3. Learning From Chemical Data. RSC CICAG Newsletter, Summer 2023, 5-11. (PDF)

Warr, Wendy. Cheminformatics: A Digital History ‒ Part 4. Ladies First. RSC CICAG Newsletter, Winter 2023-24, 46-50. (PDF)

Wiggins, Gary D. Cheminformatics: A Digital History – Part 5. Cheminformatics at Indiana University. RSC CICAG Newsletter, Summer 2024, 9-14.(PDF)

Heller, Steve. Cheminformatics: A Digital History – Part 6. The Ups and Downs in the Development and Sustainability of Databases and Software While Working for the US Government. CICAG Distillate, Winter 2024-25, 9-12. (PDF)

McHale, Phil. Cheminformatics: A Digital History – Part 7. A Personal Recollection of 35 Years in the Chemical Information Trenches Including Scientific Publishing, Pharmaceutical Industry, Online Information, and Commercial Scientific Software. CICAG Distillate Winter 2025-26, 9-13. (PDF)

Celebrating 60 Years of the Cambridge Structural Database

Image of Olga Kennard

“The beginnings of the Cambridge Structural Database (CSD) go back to 1965, when J.D. Bernal and Olga Kennard had a vision that the collective use of data would lead to the discovery of new knowledge. 60 years later, the CSD is the world’s largest database of experimentally observed small molecule crystal structures.

Today, the CSD contains more than 1.3 million organic and metal-organic experimental crystal structures, contributed by over half a million authors from more than 110 countries. Data is shared via scientific articles, patents, theses, institutional repositories, and directly through CSD Communications. Each entry is curated and enriched by editors at the Cambridge Crystallographic Data Centre (CCDC), the non-profit organisation that curates the CSD.”

Read the full text: RSC CICAG Newsletter Winter 2025-26, pages 64-66. (PDF)

CSD Growth by Year

Cambridge Structural Database Growth by year

Enlarge image

Access Structures is the CCDC’s Cambridge Structural Database and FIZ Karlsruhe’s Inorganic Crystal Structure Database free service to view and retrieve structures.

Milestone: >20,000 Structures Deposited to the PDB in 2025

“The Worldwide Protein Data Bank (wwPDB) is proud to announce that it surpassed the milestone of 20,000 new structure depositions this year. This achievement reflects the impact of rapid advances in cryo-electron microscopy, high-throughput crystallography, enhanced computational and AI-driven modeling tools, and a long-standing commitment to open data sharing.

This milestone was supported by the expertise of wwPDB biocurators, who carefully review, validate, and enhance each structure with value-added annotations, ensuring entries are accurate, discoverable, and useful to researchers across disciplines.

We extend our sincere thanks to the global scientific community for their continued support and invaluable contributions. We look forward to reaching new milestones together for the advancement of science worldwide.”

Source: wwPDB 2025 News (12-16-2025)

InChI Update and Request for Interesting Molecules

Contribution from Prof. Jonathan Goodman, University of Cambridge, et al.

“The InChI developers are keen to have feedback on the extension of the InChI so it can become an even more effective identifier for organometallic and molecular inorganic structures.

Please try out the latest version. Remember to switch the version to “Latest with Molecular Inorganics” to experiment with the new features. This will generate a non-standard InChI which is being tested for all molecules including those with bonds to metal atoms.

If you find something that looks wrong, or that you particularly like, please let us know. Please send the InChI, the molfile of the structure (use the Save as… button on the web demo to generate a molfile from a sketch of a molecule) and the reason for your interest.”

All feedback welcome! Please send comments to: test@inchi-trust.org

Read the full text: RSC CICAG Newsletter Winter 2025-26, pages 14-15. (PDF)

Cheminformatics: A Digital History – Part 7. A Personal Recollection of 35 Years in the Chemical Information Trenches by Phil McHale

“In 1963 PM Harold Wilson warned that for the UK to prosper, it would need to be remade in the “white heat” of a “scientific revolution”. I was a product of this scientific revolution, earning my DPhil in synthetic organic chemistry in 1972, along with a huge cohort of other white heat-forged science PhDs.

In the 1970s the UK pharmaceutical industry – Glaxo, Wellcome, Boots, Imperial Chemical Industries (ICI), May & Baker, Fisons, Allen & Hanburys, Smith, Kline & French, Beecham; plus UK subsidiaries: Pfizer, Roche, Merck/Merck, Sharpe & Dohme, Eli Lilly, Bayer, Ciba-Geigy – organised the traditional “milk round” of job interviews, but none of these landed me a job as a research chemist.

So as an alternative, I became an assistant editor at the erstwhile Chemical Society in London. The Society itself was housed in prestigious Burlington House on Piccadilly, but its editorial staff were crammed into poky offices on the upper floors of an equally prestigious tailor on Savile Row. I don’t think the tailor appreciated the gaggle of scruffy assistant editors traipsing in through the main door every day.

The basic job requirements were an understanding of PhD level organic chemistry (I worked on J.C.S. Perkin I) and a good grasp of written English; everything else (editing, house style, printers’ marks, selecting referees, etc.)was taught on the job. And this was 53 years ago, so before personal computers, word processors, widespreademail, and chemical drawing programs.

My editorial stint taught me IUPAC nomenclature, rigorous English grammar and spelling, manuscript mark up for the printer, and how to use edge-punched cards. Some of these skills have served me well (and lasted longer) while others infected me with long-term GPS (Grammar Pedantry syndrome). I also took an extramural interest in developments in computer handling of chemical structures and attended Wiswesser Line Notation (WLN) courses organised by the Chemical Notation Association (UK).”

Read the full text: CICAG Distillate Winter 2025-26, 9-13. (PDF)

Mike Lynch Award 2025: Val Gillet

In recognition of her pioneering research in chemical structure analysis, visionary educational leadership, and enduring dedication to advancing scientific collaboration, Professor Val Gillet has been awarded the 2025 Mike Lynch Award by the Trustees of the CSA Trust.

The Trustees are proud to honor Professor Gillet for her outstanding and innovative contributions to the field of Chemoinformatics. Her influential body of work – widely cited and highly regarded – has shaped the Chemoinformatics landscape and driven progress in pharmaceutical research and development.

In parallel with her research achievements, Professor Gillet has played a central role in building and refining the Chemoinformatics educational program at the University of Sheffield. Under her supervision, the program has earned international recognition as a hub of excellence for research and training. She is also co-author of a foundational textbook that remains a key reference in the field.

Beyond her academic accomplishments, Professor Gillet has been instrumental in fostering collaboration and visibility within Chemoinformatics. Her longstanding support of the Cheminformatics Conference in Sheffield and the International Conference on Chemical Structures in Noordwijkerhout has helped elevate them to the field’s most prominent international gatherings.

Val Gillet is a Professor of Chemoinformatics at the University of Sheffield, where she leads the Chemoinformatics Research Group within School of Information, Journalism and Communication.

https://www.linkedin.com/in/val-gillet-15a60429/

https://www.sheffield.ac.uk/ijc/people/val-gillet

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

Professor Michael Felix Lynch

February 21, 1932 – November 15, 2024

One of the pioneers of chemical information, Michael (Mike) Felix Lynch, has died at the age of 92. Mike obtained B.Sc. and Ph.D. degrees in chemistry at University College, Dublin before conducting postdoctoral research at ETH Zürich with Vladimir Prelog, the recipient of the 1975 Nobel Prize for chemistry. He then worked for two years with Ciba-Geigy in Cambridge U.K., before moving to the United States in 1961 to work for Chemical Abstracts Service (CAS). At this time, CAS was conducting some of the first research anywhere on the use of computers to build searchable databases of both journal abstracts and of the structures of chemical compounds, and Mike directed much of this work when he became Head of the Basic Research Department.1,2

On returning to the United Kingdom in 1965, he was awarded a research grant by the Office of Scientific and Technical Information to conduct studies of the automatic indexing of textual documents. He joined the University of Sheffield’s Postgraduate School of Librarianship (as it was then named, now the Information School) to conduct this research, and spent the rest of his career there until his retirement in 1997. Mike can truly be regarded as the founding father of information science research at Sheffield: starting as a Senior Research Fellow, he joined the permanent staff in 1968, and in 1974 he was appointed to the personal chair which made him the first professor of information science in the United Kingdom.

Mike’s initial research in Sheffield involved the development of methods for the automated production of articulated subject indexes such as those used in the CAS subject indexes.3 This work was followed by initial studies of techniques for the indexing, storage, and retrieval of chemical reaction information. These studies, which focused on the identification of the reaction center involved in a transformation, continued for over a decade before the development of graph-matching techniques that, after extensive subsequent refinement, underlie modern reaction retrieval systems.4,5 While this work was under way he started to develop and test systematic approaches for the selection of fragment substructures6 for screening chemical substructure searches, and was also responsible for probably the first book anywhere on the computer handling of chemical structures.7 In addition to their use in chemical information systems, the selection techniques developed for screening subsequently found application in several types of textual processing, for example, for compression, for sorting, and for searching online catalogs.8

Much of the second half of Mike’s Sheffield career, from 1980 onwards, was devoted to the development of techniques for the representation, storage, and retrieval of the generic (Markush) structures that characterize many chemical patents. This work extended over some 15 years and was carried out in collaboration with CAS, Derwent, and International Documentation for Chemistry (IDC).9,10 Other areas of interest in this period included the use of parallel computer architectures for database searching11 and the application of natural language processing methods to the textual components of chemical patents.12

When Mike arrived in Sheffield in the mid-1960s, there was very little computer-related research being undertaken in library schools in the United Kingdom. His work established a tradition that has enabled the Sheffield school to play a leading role over the years in the development not just of chemical information but also of information science more generally, with several of the researchers that he supervised subsequently following academic careers in Sheffield.

During his career he received many awards, perhaps most notably the 1989 Herman Skolnik Award of the ACS Division of Chemical Information for his “pioneering research of more than two decades on the development of methods for the storage, manipulation, and retrieval of chemical structures and reactions as well as related bibliographic information”. A further mark of recognition was the 2002 creation by the Chemical Structure Association Trust of an award in his name 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”.

Mike had a huge impact not just on our own careers, but upon the whole profession, yet he will be remembered not only for his outstanding professional achievements, but also for his remarkable personal qualities. He was a practicing Roman Catholic and a devoted family man. He loved classical chamber music. He was kind and gently spoken. To journal editors who needed papers reviewing, Mike was known as a real “softie”: he looked for the value in everyone’s work and was never excessively critical. These qualities are well illustrated by the comments of one of his doctoral students, John Barnard: “Mike was generous in the independence he gave his students, without in any way stinting in the support he offered. When he was invited to talk about the Sheffield Generic Chemical Structures project at a conference, just six months after its inception, he immediately suggested that my fellow student on the project, Steve Welford, and I should do the talking instead. That immediately projected Steve and me into the center of the international chemical information community and provided us with contacts that directly benefited our subsequent careers. Mike involved us in all aspects of the development of the project, including discussions with potential funders, recruitment of additional staff, and as shareholders in its commercial exploitation. Mike’s easygoing and gentle Irish character made him an ideal companion on social occasions, whether in the bar at conferences, for pub lunches, or at the informal dinners at his home so often given for scientists visiting our project. I literally owe my entire career in chemical information systems to Mike, and it was a privilege and a pleasure to have been one of his students”.

Michael’s first wife, Mary, died of a heart condition in 1993. In 1995, he married Mary Dykstra, a professor at Dalhousie University in Halifax, Nova Scotia, Canada who had studied in Michael’s department at the University of Sheffield. They had a long and happy retirement, traveling extensively and living in both Sheffield and Nova Scotia. Mary survives him. Our sympathies also go to Catherine and Kevin, his children by his first wife; his stepsons, Mark and Jeffery Dykstra; his eight grandchildren; and other members of his extended family worldwide.

References

  1. Dyson, G. M.; Lynch, M. F. Chemical-biological activities: a computer-produced express digest. J. Chem. Doc. 1963, 3, 81-85. https://doi.org/10.1021/c160009a011
  2. Cossum, W. E.; Krakiwsky, M. L.; Lynch, M. F. Advances in automatic chemical substructure searching techniques. J. Chem. Doc. 1965, 5 (1), 33-35. https://doi.org/10.1021/c160016a006
  3. Armitage, J. E.; Lynch, M. F. Articulation in the generation of subject indexes by computer. J. Chem. Doc. 1967, 7 (3), 170-178. https://doi.org/10.1021/c160026a010
  4. Armitage, J. E.; Lynch, M. F. Automatic detection of structural similarities among chemical compounds. J. Chem. Soc. C 1967, 521-528. https://doi.org/10.1039/j39670000521
  5. Lynch, M. F.; Willett, P. The automatic detection of chemical reaction sites. J. Chem. Inf. Comput. Sci. 1978, 18 (3), 154-159. https://doi.org/10.1021/ci60015a009
  6. Adamson, G. W.; Cowell, J.; Lynch, M. F.; McLure, A. H. W.; Town, W. G.; Yapp, A. M. Strategic considerations in the design of a screening system for substructure of chemical structure files. J. Chem. Doc. 1973, 13 (3), 153-157. https://doi.org/10.1021/c160050a013
  7. Lynch, M.; Harrison, J. M.; Town, W. G.; Ash, J. Computer Handling of Chemical Structure Information, Macdonald, London and American Elsevier, New York, 1971. http://openlibrary.org/books/OL4770313M/Computer_handling_of_chemical_structure_information
  8. Lynch, M. F. Variety generation—a reinterpretation of Shannon’s mathematical theory of communication, and its implications for information science. J. Am. Soc. Inf. Sci. 1977, 28 (1), 19-25. https://doi.org/10.1002/asi.4630280104
  9. Lynch, M. F.; Barnard, J. M.; Welford, S. M. Computer storage and retrieval of generic chemical structures in patents. 1. Introduction and general strategy. J. Chem. Inf. Comput. Sci. 1981, 21 (3), 148-150. https://doi.org/10.1021/ci00031a009
  10. Lynch, M. F.; Holliday, J. D. The Sheffield generic structures project-a retrospective review. J. Chem. Inf. Comput. Sci. 1996, 36 (5), 930-936. https://doi.org/10.1021/ci950173l
  11. Brint, A. T.; Gillet, V. J.; Lynch, M. F.; Willett, P.; Manson, G. A.; Wilson, G. A. Chemical graph matching using transputer networks. Parallel Comput. 1988, 8 (1), 295-300. https://doi.org/10.1016/0167-8191(88)90133-0
  12. Lawson, M.; Kemp, N.; Lynch, M. F.; Chowdhury, G. G. Automatic extraction of citations from the text of English-language patents – an example of template mining. J. Inf. Sci. 1996, 22 (6), 423-436. https://doi.org/10.1177/016555159602200604

Wendy Warr and Peter Willett

January 18, 2025

See also:

Applications Invited for CSA Trust Grants for 2025

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 2025.

The deadline for the 2025 Grant applications is April 25, 2025. Successful applicants will be notified no later than May 31, 2025.

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 because of that support.

Who is Eligible?

Applicant(s) in the early stages of their career 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. Applicants must be within five years of obtaining their PhD. Note that 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. Funding for 2025 will not be extended beyond December 31, 2025.

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

The deadline for the 2025 Grant applications is April 25, 2025. Successful applicants will be notified no later than May 31, 2025.

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.

Also see: CSA Trust Grant: Recent Awardees

ChemTalks: A New (Free) Meeting

Submitted by Dr. Wendy A. Warr

The first ever ChemTalks is a step up from Chemaxon’s user group meetings to a fully-fledged conference in Basel, Switzerland on 25th September 2024. This free, one-day live event will bring you insights from renowned industry experts on using technology to bridge silos in early-stage drug discovery. It will also provide you with a quick look at Chemaxon’s product updates, and make sure you have lots of networking opportunities. The meeting will be followed by a free reception. The speakers are:

  • Karl-Heinz Baringhaus, Site Director R&D Frankfurt, Sanofi
  • Nessa Carson, Associate Principal Scientist, Digital Champion, AstraZeneca
  • Josef Eiblmaier, Head of Research, Discovery and Preclinical, PharmaLex, a Cencora company
  • Peter Ertl, Formerly Director of Cheminformatics, Biomedical Research, Novartis
  • Jeremy Frey, Head Computational Systems Chemistry, University of Southampton
  • Thrasyvoulos Karydis, Co-founder, Chief Technology Officer, DeepCure
  • Jessica Lanini, Biomedical Research, Novartis
  • Timur Madzhidov, Senior Product Manager in Chemistry Innovation, Elsevier
  • Adrian Stevens, Chief Product Office, ChemAxon
  • Becky Upton, President, Pistoia Alliance

There is no charge for attendance, but registration is required: https://chemaxon.com/chemtalks-2024