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Issue 45, 2016
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A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool

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Abstract

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.

Graphical abstract: A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool

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Publication details

The article was received on 18 Apr 2016, accepted on 29 Apr 2016 and first published on 05 May 2016


Article type: Communication
DOI: 10.1039/C6CC03244C
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Chem. Commun., 2016,52, 7209-7212
  • Open access: Creative Commons BY license
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    A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool

    I. Colomer, C. J. Empson, P. Craven, Z. Owen, R. G. Doveston, I. Churcher, S. P. Marsden and A. Nelson, Chem. Commun., 2016, 52, 7209
    DOI: 10.1039/C6CC03244C

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