Can I read Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain on EtoBox?
Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain by A.A. Toropov; E. Benfenati is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain about?
The additive SMILES-based optimal descriptors have been used for modelling the bee toxicity. The influence of relative prevalence of the SMILES attributes in a training and test sets to the models for bee toxicity has been analysed. Avoiding the use of rare attributes improves statistical characteristics of the model on the external test set. The possibility of using the probability of the presence of SMILES attributes in training and test sets for rational definition of the applicability domain is discussed.
Who reads Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain?
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- A.A. Toropov; E. Benfenati
- Publisher
- Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0968-0896)
- Published
- 2008
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Life Sciences)