A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational toolElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cc03244c

Complementary cyclisation reactions of hex-2-ene-1,6-diamine derivatives were exploited in the synthesis of alternative molecular scaffolds. The value of the synthetic approach was analysed using LLAMA, an open-access computational tool for assessing the lead-likeness and novelty of molecular scaffo...

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Main Authors Colomer, Ignacio, Empson, Christopher J, Craven, Philip, Owen, Zachary, Doveston, Richard G, Churcher, Ian, Marsden, Stephen P, Nelson, Adam
Format Journal Article
Published 26.05.2016
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Summary:Complementary cyclisation reactions of hex-2-ene-1,6-diamine derivatives were exploited in the synthesis of alternative molecular scaffolds. The value of the synthetic approach was analysed using LLAMA, an open-access computational tool for assessing the lead-likeness and novelty of molecular scaffolds. LLAMA was used to assess the lead-likeness of scaffolds prepared via complementary cyclisations of hex-2-ene-1,6-diamine derivatives.
Bibliography:10.1039/c6cc03244c
Electronic supplementary information (ESI) available. See DOI
ISSN:1359-7345
1364-548X
DOI:10.1039/c6cc03244c