Search Results - "Degen, Jörg"
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On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces
Published in ChemMedChem (20-10-2008)“…To improve current methods for the decomposition of molecules into fragments, we compiled a new and more elaborate set of rules for the breaking of…”
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Exploring fragment spaces under multiple physicochemical constraints
Published in Journal of computer-aided molecular design (01-06-2007)“…We present a new algorithm for the enumeration of chemical fragment spaces under constraints. Fragment spaces consist of a set of molecular fragments and a set…”
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FlexNovo: Structure-Based Searching in Large Fragment Spaces
Published in ChemMedChem (01-08-2006)“…We present a new molecular design program, FlexNovo, for structure‐based searching within large fragment spaces following a sequential growth strategy. The…”
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A novel airlift photobioreactor with baffles for improved light utilization through the flashing light effect
Published in Journal of biotechnology (28-12-2001)“…A newly developed flat panel airlift photobioreactor with a defined circulation path was tested for microalgal culture. The bioreactor exposed the cells to…”
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Putting the available chemical space to the fingertips of our scientists
Published in Journal of cheminformatics (01-05-2012)“…Doc number: O7…”
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Second-generation de novo design: a view from a medicinal chemist perspective
Published in Journal of computer-aided molecular design (01-08-2009)“…For computational de novo design, a general retrospective validation work is a very challenging task. Here we propose a comprehensive workflow to de novo…”
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