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10

SODA
1997
ACM

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Randomly Sampling Molecules

13 years 5 months ago

Randomly Sampling Molecules

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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. Keywords Polya theory, random graphs, structural isomers.

Leslie Ann Goldberg, Mark Jerrum

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Algorithms | Degree Sequence | Polynomial-time Algorithm | SODA 1997 | Structural Isomers |

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Added	01 Nov 2010
Updated	01 Nov 2010
Type	Conference
Year	1997
Where	SODA
Authors	Leslie Ann Goldberg, Mark Jerrum

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