|
Showing 1 - 2 of
2 matches in All Departments
Significant progress has been made in the study of
three-dimensional quantitative structure-activity relationships (3D
QSAR) since the first publication by Richard Cramer in 1988 and the
first volume in the series, 3D QSAR in Drug Design. Theory, Methods
and Applications, published in 1993. The aim of that early book was
to contribute to the understanding and the further application of
CoMFA and related approaches and to facilitate the appropriate use
of these methods. Since then, hundreds of papers have appeared
using the quickly developing techniques of both 3D QSAR and
computational sciences to study a broad variety of biological
problems. Again the editor(s) felt that the time had come to
solicit reviews on published and new viewpoints to document the
state of the art of 3D QSAR in its broadest definition and to
provide visions of where new techniques will emerge or new appli-
tions may be found. The intention is not only to highlight new
ideas but also to show the shortcomings, inaccuracies, and abuses
of the methods. We hope this book will enable others to separate
trivial from visionary approaches and me-too methodology from in-
vative techniques. These concerns guided our choice of
contributors. To our delight, our call for papers elicited a great
many manuscripts.
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.
|
You may like...
Ab Wheel
R209
R149
Discovery Miles 1 490
Loot
Nadine Gordimer
Paperback
(2)
R398
R330
Discovery Miles 3 300
|