Andrew Lang is a Professor of Mathematics and Chair of the Computing & Mathematics Department at Oral Roberts University. Lang has been involved in many Open Science Projects including The Open Notebook Science Challenge and the Blue Obelisk Movement, performs his research under Open Notebook Science Conditions, and publishes his results in Open Access journals. While trained as a mathematical physicist his current research group is focused on building Open Models based upon Open Data and Open Descriptors of physical-chemical properties such as melting point and solubility.
Leah McEwen is the Programmatic Coordinator for the Edna McConnell Clark Physical Sciences eLibrary and the Chemistry Librarian at Cornell University. Her background is in biochemistry and library science and she is responsible for library resources and specialized services supporting chemistry in all fields and science and technology studies at Cornell. She has contributed to and served in advisory capacity for a number of information resources including the ACS Style Guide, the ACS CPT Guidelines for Bachelor’s Degree Programs, Cornell’s VIVO, and CAS’ SciFinder. She is an active member of the Chemical Information Division of the American Chemical Society, most recently as Secretary as well as Program Chair, addressing a wide range of topical interests from open access to advanced training and education to intellectual property and licensing to data- and text-mining. She is also a member of the ACS Joint Board-Council Committee on Publications, the adjoining Subcommittee on Copyright and the Chemical & Engineering News Editorial Board.
Evan Hepler-Smith is a historian of science and technology. Currently, Evan is Ziff Environmental Fellow at the Harvard University Center for the Environment; he holds a Ph.D. in History of Science from Princeton University. Evan studies the history of chemical information from the 19th century through the present day. His research shows, first, that debates over chemical nomenclature, notation, and information management have been central to the intellectual and institutional development of global chemistry. Second, he shows that century-old approaches to chemical information have shaped how digital chemical information is handled today. He is excited to bring this historical perspective to the OLCC collaboration.
I have been involved in chemical databases and chemical information since the early 1970's. From the NIH/EPA/NIST mass spectral database to the NIH/EPA Chemical Information System (CIS) to the Open Source IUPAC International Chemical Identifier (InChI) I have seen the explosion of electronic information. This vast explosion of electronic information, coupled with the Internet has created the opportunity to connect these many, many silos and islands of data and information. Since what we are looking to access, analyze and understand is associated with a chemical, the ability of the InChI chemical identifier linking these sources is critical to progress. I am currently the Project Director of the InChI Trust, a non-profit UK charity that is responsible for the support and expansion of the Open Source InChI algorithm. Leaning the skills to find information and data is critical to all those students in chemistry. That is why I am so enthusiastic about being involved in this online intercollegiate course in Cheminformatics/Chemical Information Sciences.
I am an Associate Professor of Chemistry at the University of Arkansas at Little Rock with a focus on the use of computers in Chemical Education. I am interested in how digital ICTs (Information and Communication Technologies) are changing the way our society shares and communicates information, and the impact this is having on chemical education and the practice of science. I currently serve as Chair of the ACS Division of Chemical Education's (CHED) Committee on Computers in Chemical Education (CCCE), and see the Cheminformatics OLCC as an opportunity for the CCCE to contribute to the advancement of science by providing a mechanism for the integration of these new and evolving technologies into the chemistry curriculum.
I am an Assistant Professor of Chemistry at The University of Minnesota Rochester's “Center for Learning Innovation”. I am interested in figuring out in what ways technology can help learning and it what ways it hinders it. I have authored several web platforms that make use of graphical interfaces to learn chemistry. Models 360 is a collection of several hundreds of molecules, where properties such as structural symmetry, vibrations and electrostatic maps can be displayed with the Jmol applet. More recently, I developed ChemEd X Data as a graphical tool to help students navigate through large amounts of chemical and physical data and build their own knowledge by figuring out on their own trends and exceptions. I am also interested in assessing how much learning or how different the learning is when we move from a face-to-face classroom environment to an interconnected computer environment. This is why I am thrilled to be part of the OLCC project and learning in what ways the new communication technologies can overcome the current barriers of our educational system.
Nathan Brown is the Head of the in silico Medicinal Chemistry group in the Cancer Therapeutics Unit at The Institute of Cancer Research in London (UK). At the ICR, Nathan and his group support our entire drug discovery portfolio together with developing new computational methodologies to enhance our drug design work. Nathan conducted his doctoral research in Sheffield with Professor Peter Willett focusing on evolutionary algorithms and graph theory. After a two–year Marie Curie fellowship in Amsterdam in collaboration with Professor Johann Gasteiger in Erlangen, he joined the Novartis Institutes for BioMedical Research in Basel for a three–year Presidential fellowship in Basel working with Professors Peter Willett and Karl–Heinz Altmann. Nathan's work has led to the pioneering work on mulitobjective de novo design in addition to a variety of discoveries and method development in bioisosteric identification and replacement, scaffold hopping, molecular descriptors and statistical modelling. Nathan continues to pursue his research in all aspects of in silico medicinal chemistry. Nathan recent published the first book on bioisosteres, entitled Bioisosteres in Medicinal Chemistry.
Jordi Cuadros is an Associate Professor at IQS Universitat Ramon Llull (Barcelona, Spain) where he teaches introductory courses of programming to students in Chemistry, Chemical Engineering, Industrial Engineering and Biotechnology degrees. He holds a PhD in chemistry and a second degree in Education and his research expands over the intersection between physical sciences, computers, education and data analytics. He has been involved in developing simulations for learning chemistry and physics and currently tries to place some light on the learning that takes place when students use interactive and open-ended applications.
Founder of Molecular Materials Informatics, which is dedicated to bringing cheminformatics to modern computing platforms (mobile, web, cloud, etc.). Outspoken advocate for increased awareness of chemical information technology by experimental chemists, in order to make the results of their experiments usable by machine learning algorithms, as well as other expert humans. Card-carrying former experimental chemist, software engineer from a young age, with many years spent creating software for computer-aided drug design. For more information, see LinkedIn Profile and Cheminformatics 2.0 blog.