The Springer Handbook of Chem- and Bioinformatics provides an introduction as well as a detailed description of the application of various techniques used in chemo- and bioinformatics. It covers basic topics such as a discussion of computational techniques used in the predictions of structures, properties, and dynamics of small compounds, macromolecules, and their complexes. Diverse applications of QSAR methods are also revealed. Various chapters offer specifics of current methodologies used by research labs in the pharmaceutical industry for drug design. Modern computational approaches taking advantage of searching big data, using artificial intelligence and machine learning are discussed, while the necessity of applying such advanced novel techniques for bio- and chemo-informatics is revealed.

This handbook combines nicely together discussion and assessment of both closely related fields of modern informatics. It is a welcome addition to the university libraries, research institutes, as well as to basic textbook resources of individual researchers. The target audience includes students (both graduate and advanced undergraduate), university researchers, scientists working in private and governmental laboratories as well as a large group of developers from pharmaceutical and medical institutes and related industrial research centers.

Links together bio- and cheminformatics Provides basic information on techniques and approaches Describes available computational approaches

Autorentext

Dr. Jerzy Leszczynski is a computational quantum chemist, Professor of Chemistry, and President's Distinguished Fellow at Jackson State University, Jackson in Mississippi, USA, where he has been a faculty member since 1990. He earned his M.S. (1972) and Ph.D. (1975) degrees from the Technical University of Wroclaw (TUW) in Wroclaw, Poland.

At JSU, he served as the founding director of two NSF research centers: the Computational Center for Molecular Structure and Interactions and the Interdisciplinary Nanotoxicity Center. He also established, secured support, and executed two major conference seriesthe Conference on Current Trends in Computational Chemistry (CCTCC, 27 meetings) and the Southern Schools on Computational Chemistry and Material Sciences (16 meetings).

He has edited over 60 books for four major publishers and has been instrumental in developing and editing several book series, including:

• Computational Chemistry: Reviews of Current Trends (World Scientific)
• Challenges and Advances in Computational Chemistry and Physics (Springer)
• Practical Aspects of Computational Chemistry (Springer)
• Lecture Notes in Chemistry (Springer) He also edited both editions of the Handbook of Computational Chemistry (Springer). Currently, he serves as an editor of Structural Chemistry (Springer) and sits on the editorial boards of eight journals.

A prolific researcher, he has reviewed manuscripts for more than 60 journals, published over 1,100 peer-reviewed papers and nearly 100 book chapters, with his work cited more than 47,000 times (H-index: 105).

His numerous honors include the U.S. Presidential Award for Excellence in Science, Mathematics, and Engineering Mentoring, the Distinguished Award of the Academic Council of Taras Shevchenko National University of Kyiv (Ukraine), the Maria Sklodowska-Curie Medal, two Honorary Doctorates, and four Honorary/Guest Professorships.

He is an elected Member of the European Academy of Sciences and the European Academy of Sciences, Arts and Humanities.

Klappentext

The Springer Handbook of Chem- and Bioinformatics provides an introduction as well as a detailed description of the application of various techniques used in chemo- and bioinformatics. It covers basic topics such as a discussion of computational techniques used in the predictions of structures, properties, and dynamics of small compounds, macromolecules, and their complexes. Diverse applications of Quantitative structure-activity relationships (QSAR) methods are also revealed. Various chapters offer specifics of current methodologies used by research labs in the pharmaceutical industry for drug design. Modern computational approaches taking advantage of searching big data, using artificial intelligence and machine learning are discussed, while the necessity of applying such advanced novel techniques for bio- and chemo-informatics is revealed.

This handbook combines nicely together discussion and assessment of both closely related fields of modern informatics. It is a welcome addition to the university libraries, research institutes, as well as to basic textbook resources of individual researchers. The target audience includes students (both graduate and advanced undergraduate), university researchers, scientists working in private and governmental laboratories as well as a large group of developers from pharmaceutical and medical institutes and related industrial research centers.

Inhalt

1 Computational Biology and Biochemistry.- 2 Cheminformatics I: Ligand-Based Molecular Modeling.- 3 Cheminformatics II: Structure-Based Molecular Modeling and Drug Design.- 4 Bioinformatics.- 5 Machine Learning, Artificial intelligence, and Big Data.