Data Mining in Drug Discovery
eBook
Written for drug developers rather than computer scientists, this monograph adopts a systematic approach to mining scientific data sources, covering all key steps in rational drug discovery, from compound screening to lead compound selection and personalized medicine.
After a general introduction to the topic, common data mining tools for chemical, biological, text and other data types are described, including second order tools that combine information from multiple sources. The next section compares the different data sources available, both commercial and non-commercial. The main section of the book is devoted to the most common drug discovery applications where data mining can substantially enhance the research effort.
Throughout the book, industrial and academic drug discovery strategies are addressed, with contributors coming from both areas, enabling an informed decision on when and which data mining tools to use for one's own drug discovery project.
Remy Hoffmann studied Pharmacy at the University Louis Pasteur in Strasbourg (France). He then graduated in Medicinal Chemistry under Prof. C. G. Wermuth. After joining BioCAD in 1992 as a support scientist for the pharmacophore perception tool CATALYST in Europe, Dr. Hoffmann joined the new company Accelrys. Dr Hoffman's main areas of interest are in lead finding (screening, pharmacophore perception) and lead optimisation (QSAR).
After a general introduction to the topic, common data mining tools for chemical, biological, text and other data types are described, including second order tools that combine information from multiple sources. The next section compares the different data sources available, both commercial and non-commercial. The main section of the book is devoted to the most common drug discovery applications where data mining can substantially enhance the research effort.
Throughout the book, industrial and academic drug discovery strategies are addressed, with contributors coming from both areas, enabling an informed decision on when and which data mining tools to use for one's own drug discovery project.
Remy Hoffmann studied Pharmacy at the University Louis Pasteur in Strasbourg (France). He then graduated in Medicinal Chemistry under Prof. C. G. Wermuth. After joining BioCAD in 1992 as a support scientist for the pharmacophore perception tool CATALYST in Europe, Dr. Hoffmann joined the new company Accelrys. Dr Hoffman's main areas of interest are in lead finding (screening, pharmacophore perception) and lead optimisation (QSAR).
Hoffmann, Rémy
Gohier, Arnaud
Pospisil, Pavel
Mannhold, Raimund
Kubinyi, Hugo
Folkers, Gerd
| ISBN | 9783527656004 |
|---|---|
| Article number | 9783527656004 |
| Media type | eBook - ePUB |
| Copyright year | 2013 |
| Publisher | Wiley-VCH |
| Length | 413 pages |
| Language | English |
| Copy protection | Adobe DRM |
