Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.
Kamel MansouriJosé T. Moreira-FilhoCharles N. LoweNathaniel CharestTodd MartinValery TkachenkoRichard S. JudsonMike ConwayNicole C. KleinstreuerAntony J. WilliamsPublished in: J. Cheminformatics (2024)