Identifying new topoisomerase II poison scafolds by combining publicly available toxicity data and 2D/3D-based virtual screening

Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors

Structure-Activity Relationships for NAMI-A-type Complexes (HL)[trans-RuCl4L(S-dmso)ruthenate(III)] (L = Imidazole, Indazole, 1,2,4-Triazole, 4-Amino-1,2,4-triazole, and 1-Methyl-1,2,4-triazole):? Aquation, Redox Properties, Protein Binding, and Antiproliferative Activity