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Название: Handbook of Chemoinformatics: From Data to Knowledge ( Vol 1)
Автор: Gasteiger J.
Covering the application of computer-aided methods to chemical problems, such as structural databases, spectra interpretation, predicting chemical properties and molecular shapes, this four-volume work provides both newcomers and advanced users as well as lecturers with a profound and comprehensive overview of this increasingly important field.
Closely related to practice, this handbook leads readers step-by-step through:
- Representation of molecular structures
- Data types
- Search methods
- Methods for data analysis
In addition, tutorials teach future users how to use different chemoinformatic tools, while many aspects are treated in special supplementary chapters, such that even specialists learn of the latest developments and trends.