- Article
Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions
- Andrey A. Toropov,
- Alla P. Toropova and
- Emilio Benfenati
Optimal descriptors calculated with the simplified molecular input line entry system (SMILES) have been utilized in modeling of carcinogenicity as continuous values (logTD50). These descriptors can be calculated using correlation weights of SMILES at...

