Figure 3.

Identification of bioactive conformers. Molecule i was circled by a dashed line and its conformers were represented by solid triangles. The plus circles represent the positively contributing prototype conformers and the minus circles represent the negatively contributing prototype conformers. The identification of bioactive conformers was accomplished by calculating the total contributions from the closest prototype conformers.

Fu et al. BMC Bioinformatics 2012 13(Suppl 15):S3   doi:10.1186/1471-2105-13-S15-S3