Advanced Methods and Applications in Chemoinformatics : Research Progress and New Applications

Chemoinformatics is a scientific area that endeavours to study and solve complex chemical problems using computational techniques and methods. The collection of topics in this book aims to reflect the diversity of recent advances in chemoinformatics with a broad perspective which may be useful for scientists as well as for graduate students and engineers. This book presents leading-edge research from around the world in this dynamic field. Advanced Methods and Applications in Chemoinformatics: Research Methods and New Applications provides innovative chapters on the growth of educational, scientific, and industrial research activities among chemists and chemical engineers and provides a medium for mutual communication between international academia and the industry. This book contains significant research reporting new methodologies and important applications in the fields of chemical informatics as well as the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.

Eduardo A. Castro's career was launched by studying Physical Chemistry at the Faculty of Chemistry of the La Plata National University of La Plata, Buenos Aires, Argentina, during 1963-70. His diploma work to get his PhD Degree was on calculation of HMO and related semi empirical methods of beta-carotene for analyze chemical reactivity and electronic spectrum. Incidentally, his only available computational resource on that time was a diagonalization subroutine for symmetric matrices and his only disposable instruction book was Andrew Streitwieser's on Theoretical Organic Chemistry. From 1971-72 he performed his Ph.D. work at the Physics Department of the National La Plata University, working under supervision of Manuel Sorarrain. After that we find him as a research scientist at the Theoretical and Applied Research Institute located at La Plata National University where he founded the Group for Theoretical Chemistry in 1974. Then, he was appointed as a member of the Scientific Researcher Career in the Argentina National Research Council and he continues up to the present time as a Superior Researcher.

A.K. Haghi holds a BSc in urban and environmental engineering from University of North Carolina (USA), a MSc in mechanical engineering from North Carolina A&T State University (USA), a DEA in applied mechanics, acoustics and materials from Université de Technologie de Compiègne (France) and a PhD in engineering sciences from Université de Franche-Comté (France). He is the author and editor of 45 books, as well as 650 papers in various journals and conference proceedings. Dr. Haghi has received several grants, consulted for a number of major corporations and is a frequent speaker to national and international audiences. Since 1983, he served as professor in several universities. He is currently Editor-in-chief of the International Journal of Chemoinformatics and Chemical Engineering and on the Editorial Boards of many International journals. He is also faculty member of University of Guilan (Iran).