Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
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...
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...
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...
—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...