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Development of composite workflow applications in science and engineering is troublesome and costly due to high heterogeneity of data representations and data access interfaces of the underlying individual components. As an effective solution we present a generic toolkit enabling domain experts to develop data models and automatically generate a self-contained data access service. We defined a custom...
Background In silico predictive models have proved to be valuable for the optimisation of compound potency, selectivity and safety profiles in the drug discovery process. Results camb is an R package that provides an environment for the rapid generation of quantitative Structure-Property and Structure-Activity models for small molecules (including QSAR, QSPR, QSAM, PCM) and is aimed at both advanced...
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