Nucleic Acids Research, 2009, Vol. 37, Database issue D297 Figure 1. Flow chart of queries and search results in SuperToxic. (I) Search option of the web interface. (A) Search for toxic compounds via name, CASRN or NSC number and pathway. (B) Structure search: upload a MOL ﬁle, enter SMILES or InChI code or dray the structure, e.g. of a potential drug candidate (Hit1). Based on this query structure a similarity or substructure search can be performed. (C) Search for toxic compounds via properties, like molecular weight, number of atoms or rings, H-bond donors or acceptors, LogP or the toxicity value. (II) Result table of a similarity search (Hit1 a query structure), showing a summary for each compound. (A) A detailed view shows all properties. (B) All toxicity values for a compound. (C) Supplier information. (D) Link to KEGG pathways.