5 search results - page 1 / 1 » A Tree Based Method for the Rapid Screening of Chemical Fing... |
WABI
2009
Springer
13 years 11 months ago
2009
Springer
Background: The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules will have similar fingerprints. Molecular fin...
BIBM
2009
IEEE
13 years 11 months ago
2009
IEEE
Background: Similaritysearch in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screeni...
EUROGP
2005
Springer
13 years 10 months ago
2005
Springer
Abstract. Cartesian Genetic Programming is a graph based representation that has many benefits over traditional tree based methods, including bloat free evolution and faster evolu...
BMCBI
2010
13 years 4 months ago
2010
Background: Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools ar...
BMCBI
2010
13 years 4 months ago
2010
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...