NDLI: The T‐hull approach to transformations of discrete point sets to continua and shape transformations between discontinuous objects using alpha‐hulls

Content Provider	Springer Nature Link
Author	Mezey, Paul G.
Copyright Year	2000
Abstract	In molecular shape analysis and in the analysis of various molecular functions used in modeling chemical reactions and biochemical interactions, it is often useful to generate transformations that interconvert various molecular models into one another. Some of these models are continua whereas some others have disconnected parts or even separated discrete points. The interconversion between such very different descriptors is a nontrivial task. The associated mathematical and computational problems are even more complex if relations and possible interconversions between models describing different molecules are considered. In this contribution two conceptually simple techniques are described. These approaches are based on alpha‐hulls and T‐hulls, leading to shape transformations between discontinuous objects and transformations between discrete point sets and continua. Applications of these methods are not restricted to chemistry, however, some of the special features discussed are designed for molecular modeling applications.
Starting Page	53
Ending Page	60
Page Count	8
File Format	PDF
ISSN	02599791
Journal	Journal of Mathematical Chemistry
Volume Number	27
Issue Number	1-2
e-ISSN	15728897
Language	English
Publisher	Kluwer Academic Publishers-Plenum Publishers
Publisher Date	2000-01-01
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Math. Applications in Chemistry Physical Chemistry Theoretical and Computational Chemistry
Content Type	Text
Resource Type	Article
Subject	Applied Mathematics Chemistry

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