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Molecular Descriptors for Chemoinformatics

Molecular Descriptors for Chemoinformatics PDF Author: Roberto Todeschini
Publisher: John Wiley & Sons
ISBN: 9783527628773
Category : Science
Languages : en
Pages : 1257

Book Description
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.

Molecular Descriptors for Chemoinformatics

Molecular Descriptors for Chemoinformatics PDF Author: Roberto Todeschini
Publisher: John Wiley & Sons
ISBN: 9783527628773
Category : Science
Languages : en
Pages : 1257

Book Description
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.

Crystal Engineering: From Molecules and Crystals to Materials

Crystal Engineering: From Molecules and Crystals to Materials PDF Author: Dario Braga
Publisher: Springer Science & Business Media
ISBN: 9401145059
Category : Science
Languages : en
Pages : 502

Book Description
Crystal engineering is an interdisciplinary area that cuts across the traditional subdivisions of chemistry. Fuelled by our increasingly precise understanding of the chemistry and properties of supramolecular systems, interest in the potential of the field has increased rapidly. The topics discussed in the 28 contributions in this book provide a state-of-the-art description of the field and offer new research ideas that, if pursued, will serve to strengthen the field at the interface between supramolecular chemistry and materials science.

Encyclopedia of Supramolecular Chemistry - Two-Volume Set (Print)

Encyclopedia of Supramolecular Chemistry - Two-Volume Set (Print) PDF Author: Jerry L. Atwood
Publisher: CRC Press
ISBN: 1482258161
Category : Science
Languages : en
Pages : 1745

Book Description
The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized information on a rapidly expanding interdisciplinary field. User-friendly and high-quality articles parse the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics. Designed for specialists and students alike, the set covers the fundamentals of supramolecular chemistry and sets the standard for relevant future research.

Molecular Descriptors for Chemoinformatics, 2 Volume Set

Molecular Descriptors for Chemoinformatics, 2 Volume Set PDF Author: Roberto Todeschini
Publisher: Wiley-VCH
ISBN: 9783527318520
Category : Science
Languages : en
Pages : 304

Book Description
Molecular Descriptors for Chemoinformatics As every chemist knows, there is a direct (if complex) relationship between the molecular structure of a compound and its chemical behavior. Predicting such behavior is possible by an abstract representation of its structure in terms of chemical similarity parameters, socalled ‘descriptors’. These are most useful in predicting the pharmacological properties of drug candidates, but are also used in predicting reactivity, toxicity and other important chemical characteristics. The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past eight years has been pain-stakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of around 3300 terms for the chemoinformatic analysis of chemical compound properties, while the second volume contains 6343 references selected from 450 journals with about 7000 authors quoted covering the period from the beginning of molecular descriptor research until the year 2008. In this second edition, several sections have been completely rewritten and organized in a more effective way. The greatly expanded introductory section now contains several “walk-through” reading lists of selected keywords to make the data even more accessible for novice users.

Encyclopedia of Supramolecular Chemistry

Encyclopedia of Supramolecular Chemistry PDF Author: J. L. Atwood
Publisher: CRC Press
ISBN: 9780824747244
Category : Science
Languages : en
Pages : 1002

Book Description
Covers the fundamentals of supramolecular chemistry; supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics.

Molecular Recognition, Chemical and Biochemical Problems II

Molecular Recognition, Chemical and Biochemical Problems II PDF Author: Stanley M. Roberts
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 216

Book Description
This book reviews currently important work in the area of molecular recognition and focuses on recent advances in the mutual recognition of small-small, small-large and large-large molecules. Molecular Recognition: Chemical and Biochemical Problems II covers the latest research into the theoretical and physical chemical considerations of the subject as well as the growing area of self-assembly processes. In addition, the book looks at specific examples of molecular recognition which illustrate many of the recent innovations in methodology occurring in the field. Written by world leaders in the field it complements the previous volume published under this title and gives an up-date on important progress made in the subject in the UK and USA. Molecular Recognition: Chemical and Biochemical Problems II is essential reading for scientists in the pharmaceutical and agricultural chemical industries, as well as for bio-organic and bio-inorganic chemists in academia.

Homology Molecular Modeling

Homology Molecular Modeling PDF Author: Rafael Trindade Maia
Publisher: BoD – Books on Demand
ISBN: 1839628057
Category : Science
Languages : en
Pages : 147

Book Description
Homology modeling is an extremely useful and versatile technique that is gaining more and more space and demand in research in computational and theoretical biology. This book, “Homology Molecular Modeling - Perspectives and Applications”, brings together unpublished chapters on this technique. In this book, 7 chapters are intimately related to the theme of molecular modeling, carefully selected and edited for academic and scientific readers. It is an indispensable read for anyone interested in the areas of bioinformatics and computational biology. Divided into 4 sections, the reader will have a didactic and comprehensive view of the theme, with updated and relevant concepts on the subject. This book was organized from researchers to researchers with the aim of spreading the fascinating area of molecular modeling by homology.

United States-Japan Seminar on Host-Guest Chemistry

United States-Japan Seminar on Host-Guest Chemistry PDF Author: George W. Gokel
Publisher: Springer Science & Business Media
ISBN: 9400909691
Category : Science
Languages : en
Pages : 276

Book Description


Journal of the Chemical Society

Journal of the Chemical Society PDF Author:
Publisher:
ISBN:
Category : Chemistry, Organic
Languages : en
Pages : 612

Book Description


Fluorine and Health

Fluorine and Health PDF Author: Alain Tressaud
Publisher: Elsevier
ISBN: 0080558119
Category : Medical
Languages : en
Pages : 821

Book Description
Fluorine and Health presents a critical multidisciplinary overview on the contribution of fluorinated compounds to resolve the important global issue of medicinal monitoring and health care. The involved subjects are organized in three thematic parts devoted to Molecular Imaging, Biomedical Materials and Pharmaceuticals. Initially the key-position of partially fluorinated low molecular weight compounds labelled either with the natural 19F-isotope for Magnetic Resonance Imaging (MRI) or labelled with the radioactive [18F]-isotope for Positron Emission Tomography (PET) is highlighted. Both non-invasive methods belong to the most challenging in vivo imaging techniques in oncology, neurology and in cardiology for the diagnosis of diseases having the highest mortality in the industrialized countries. The manifold facets of fluorinated biomaterials range from inorganic ceramics to perfluorinated organic molecules. Liquid perfluorocarbons are suitable for oxygen transport and as potential respiratory gas carriers, while fluorinated polymers are connected to the pathology of blood vessels. Another important issue concerns the application of highly fluorinated liquids in ophthalmology. Moreover, fluorine is an essential trace element in bone mineral, dentine and tooth enamel and is applied for the prophylaxis and treatment of dental caries. The various origins of human exposure to fluoride species is detailed to promote a better understanding of the effect of fluoride species on living organisms.Medicinally relevant fluorinated molecules and their interactions with native proteins are the main focus of the third part. New molecules fluorinated in strategic position are crucial for the development of pharmaceuticals with desired action and optimal pharmacological profile. Among the hundreds of marketed active drug components there are more than 150 fluorinated compounds. The chapters will illustrate how the presence of fluorine atoms alters properties of bioactive compounds at various biochemical steps, and possibly facilitate its emergence as pharmaceuticals. Finally the synthetic potential of a fluorinase, the first C-F bond forming enzyme, is summarized. - New approach of topics involving chemistry, biology and medicinal techniques - Transdisciplinar papers on fluoride products - Importance of fluoride products in health - Updated data on specific topics