Download QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
QSPR/QSAR Analysis Using SMILES and Quasi-SMILES book pdf download presents advances in computational chemistry and a reliable technology for developing Nano-QSPR/QSAR docking while it also includes the description of the algorithms of the Monte Carlo optimization and quantitative structure-activity relationship.
It discusses the theory and practice of the technique of variational authodecoders (VAEs) based on SMILES and analyses in details the index of ideality of correlation (IIC) and the correlation intensity index (CII) which are new criteria for the predictive potential of the model. The mathematical apparatus used is simple so that students of relevant specializations can easily follow.
eBook details
- Author (s): Alla P. Toropova (Editor), Andrey A. Toropov
- Year of publication: 2023
- Publisher: Springer
- Language: English
- ISBN: 3031284003, 9783031284007
- Number of pages: 470 pages
- Book format: PDF
- File size: 6MB
