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Randomly sampling molecules

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Goldberg, Leslie Ann and Jerrum, Mark (1999) Randomly sampling molecules. SIAM Journal on Computing, Volume 29 (Number 3). pp. 834-853. ISSN 0097-5397.

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Official URL: http://dx.doi.org/10.1137/S0097539797318864

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Abstract

We give a polynomial-time algorithm for the following problem: Given a degree sequence in which each degree is bounded from above by a constant, select, uniformly at random, an unlabelled connected multigraph with the given degree sequence. We also give a polynomial-time algorithm for the following related problem: Given a molecular formula, select, uniformly at random, a structural isomer having the given formula.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software
Q Science > QA Mathematics
Divisions: Faculty of Science, Engineering and Medicine > Science > Computer Science
Journal or Publication Title: SIAM Journal on Computing
Publisher: Society for Industrial and Applied Mathematics
ISSN: 0097-5397
Official Date: 1999
Dates:
DateEvent
1999Published
Volume: Volume 29
Number: Number 3
Number of Pages: 20
Page Range: pp. 834-853
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Version or Related Resource: Goldberg, L.A. and Jerrum, M. (1996). Randomly sampling molecules. University of Warwick. Department of Computer Science. (Department of Computer Science research report, 306). Goldberg, L.A. and Jerrum, M. (1997). Randomly sampling molecules. In: 8th Annual ACM/SIAM Symposium on Discrete Algorithms, New Orleans, LA, 05-07 Jan 1997. Published in: Proceedings of the eighth annual ACM-SIAM symposium on Discrete algorithms pp. 183-192.
Conference Paper Type: Paper
Title of Event: 8th Annual ACM/SIAM Symposium on Discrete Algorithms
Type of Event: Other
Location of Event: New Orleans, Louisiana
Date(s) of Event: 05-07 Jan 1997
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