QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae

• Main Authors: Gramatica, P., Cassani, S., Roy, P.P., Kovarich, S., Yap, C.W., Papa, E.
• Other Authors: PHARMACY
• Format: Article
• Published: 2014
• Subjects: Chemical structure pitfalls; Molecular descriptors; QSAR tutorial; REACH; SMILES; Triazole algae toxicity; Validation
• Online Access: http://scholarbank.nus.edu.sg/handle/10635/106271
• Institution: National University of Singapore

10.1002/minf.201200075