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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Finding the molecular scaffold of nuclear receptor inhibitors through high-throughput screening based on proteochemometric modelling

Fig. 2

Scaffold clustering of NR-inhibitors, colors in back ground and in spot represents the experimental confirmed active compounds and model predicted active compounds respectively. Red means active compounds while green means inactive compounds, white color means scaffold contains both active and inactive compounds. a Scaffold clustering of NR1C1-inhibitors. b Examples of compounds contains scaffold S10. c Scaffold clustering of NR1C2-inhibitors. d Scaffold clustering of NR1C3-inhibitors. e Scaffold clustering of NR1H2-inhibitors. f Scaffold clustering of NR2B1-inhibitors

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