A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool
Ignacio Colomer, Christopher J. Empson, Philip G. E. Craven, Zachary Owen, Richard G. Doveston, Ian Churcher, Stephen P. Marsden, Adam S. Nelson · Chemical Communications · 2016
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.