Figure 2From: A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screeningAutocorrelogram. In blue and red impulses: positive and negative values of the autocorrelation (AC±) of partial charges for the first ligand of the comt target. The ligand is depicted in 2D at the top right. The linearly binned versions (LBAC±) of the positive and negative parts of the autocorrelogram are the cyan and pink lines.Back to article page