Teaching Chemoinformatics

Steinbeck C (2008) Open toolkits and applications for chemoinformatics teaching Abstracts of Papers, 235th ACS National Meeting, New Orleans, LA, United States, April 6-10 http //padel.nus.edu.sg/software/padeldescriptor/... 

Foremost we hope - and believe - that chemoinformatics will become of increasing importance in the teaching of chemistry. The instruments and methods that are used in chemistry will continue to swamp us with data and we have to manage these data to increase our chemical knowledge. We have to understand more deeply, and exploit, the results of our experiments. Concomitantly, demands on the properties of the compounds that are produced by the chemical and pharmaceutical industries will continue to rise. We will need materials that are better we need them to be more selective, have fewer undesirable properties, able to be broken down easily in the environment without producing toxic by-products, and so on. This asks for more insight into the relationships between chemical structures and their properties. Furthermore, we have to plan and perform fewer and more efficient experiments. 

Dr. Renu Vyas is currently a DST women scientist at National Chemical Laboratory Pune, India. She pursued her Ph.D. in synthetic organic chemistry at National Chemical Laboratory and postdoctoral stndies at the University of Tennessee, USA. She is the reeipient of several nniversity and rrational level fellowships. She has a number of research publications in intematiorrally renowned jonmals, reviews, and book chapters to her credit. She held high positions and possesses varied experience in research, teaching, administration, and software indnstry. Her research interests inclnde molecnlar modelling in the twin domairrs of chemoinformatics and bioinformatics. 

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