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ALGORITHMICA
1999
84views more  ALGORITHMICA 1999»
13 years 7 months 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
BMCBI
2008
130views more  BMCBI 2008»
13 years 7 months ago
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects
Background: Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing awareness about the importance of pred...
David Lagorce, Olivier Sperandio, Hervé Gal...
ENVSOFT
2006
84views more  ENVSOFT 2006»
13 years 7 months ago
Modeling the fate of down-the-drain chemicals in rivers: An improved software for GREAT-ER
GREAT-ER (Geography-referenced Regional Exposure Assessment Tool for European Rivers) is a model system for predicting chemical fate and exposure in surface waters. The GREAT-ER a...
F. Koormann, J. Rominger, D. Schowanek, J.-O. Wagn...
ISCI
2008
137views more  ISCI 2008»
13 years 7 months ago
Inference of differential equation models by genetic programming
This paper describes an evolutionary method for identifying a causal model from the observed time series data. We use a system of ordinary differential equations (ODEs) as the cau...
Hitoshi Iba
CISIS
2009
IEEE
14 years 2 months ago
A Nonmonotonic Logical Approach for Modelling and Revising Metabolic Networks
—This paper describes a new logic-based approach for representing and reasoning about metabolic networks. First it shows how biological pathways can be elegantly represented in a...
Oliver Ray, Ken E. Whelan, Ross D. King