Phenotype-driven de novo molecular design from gene expression signatures

Target-based and structure-guided drug design remain central to modern drug discovery, but complementary strategies are needed when predefined targets or binding pockets do not fully capture disease biology.

Target-based and structure-guided drug design remain central to modern drug discovery, but complementary strategies are needed when predefined targets or binding pockets do not fully capture disease biology. Gene-expression signatures provide scalable system-level readouts of…