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

作者：Colomer Ignacio; Empson Christopher J; Craven Philip; Owen Zachary; Doveston Richard G; Churcher Ian; Marsden Stephen P^*; Nelson Adam^*

来源：Chemical communications, 2016, 52(45): 7209-7212.

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 scaffolds.

• 出版日期2016