Fig. 4From: Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screeningScaffold hopping candidate molecules around mitoxantrone grouped by their chemotypes. Scaffold hopping candidates are similar to mitoxantrone in their 3D shape, show a similar toxicity pattern in the NCI60 panel and yet can be described by different molecular descriptor-based fingerprints. For each NSC molecule, salts are omittedBack to article page