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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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Supplementary files

Article information


Submitted
18 Apr 2016
Accepted
29 Apr 2016
First published
05 May 2016

This article is Open Access

Chem. Commun., 2016,52, 7209-7212
Article type
Communication
Author version available

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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