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» Relationships between Molecular Complexity, Biological Activ...
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JCISD
2006
55views more  JCISD 2006»
15 years 12 days ago
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity
Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, P...
124
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CIBCB
2009
IEEE
15 years 1 months ago
Application of machine learning approaches on quantitative structure activity relationships
Machine Learning techniques are successfully applied to establish quantitative relations between chemical structure and biological activity (QSAR), i.e. classify compounds as activ...
Mariusz Butkiewicz, Ralf Mueller, Danilo Selic, Er...
BMCBI
2004
144views more  BMCBI 2004»
15 years 9 days ago
PASBio: predicate-argument structures for event extraction in molecular biology
Background: The exploitation of information extraction (IE), a technology aiming to provide instances of structured representations from free-form text, has been rapidly growing w...
Tuangthong Wattarujeekrit, Parantu K. Shah, Nigel ...
BMCBI
2005
124views more  BMCBI 2005»
15 years 10 days ago
Tools enabling the elucidation of molecular pathways active in human disease: Application to Hepatitis C virus infection
Background: The extraction of biological knowledge from genome-scale data sets requires its analysis in the context of additional biological information. The importance of integra...
David J. Reiss, Iliana Avila-Campillo, Vesteinn Th...
85
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ALGORITHMICA
1999
84views more  ALGORITHMICA 1999»
15 years 3 days ago
Computational Approaches to Drug Design
Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
Paul W. Finn, Lydia E. Kavraki