Bunin / Bajorath / Siesel | Chemoinformatics: Theory, Practice, & Products | Buch | 978-1-4020-5000-8 | sack.de

Buch, Englisch, 295 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 686 g

Bunin / Bajorath / Siesel

Chemoinformatics: Theory, Practice, & Products


2007
ISBN: 978-1-4020-5000-8
Verlag: Springer Netherlands

Buch, Englisch, 295 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 686 g

ISBN: 978-1-4020-5000-8
Verlag: Springer Netherlands


is an essential handbook for determining the right Chemoinformatics method or technology to use. There has been an explosion of new Chemoinformatics tools and techniques. Each technique has its own utility, scope, and limitations, as well as meeting resistance to use by experimentalists. The purpose of is to provide computational scientists, medicinal chemists and biologists with unique practical information and the underlying theories relating to modern Chemoinformatics and related drug discovery informatics technologies.

The book also provides a summary of currently available, state-of-the-art, commercial Chemoinformatics products, with a specific focus on databases, toolkits, and modelling technologies designed for drug discovery. It will be broadly useful as a reference text for experimentalists wishing to rapidly navigate the expanding field, as well asthe more expert computational scientists wishing to stay up to date.

Bunin / Bajorath / Siesel Chemoinformatics: Theory, Practice, & Products jetzt bestellen!

Zielgruppe


Research

Weitere Infos & Material


Theory section: Chemoinformatics theory. Chemoinformatics – what is it? Chemo- versus bio-informatics. Scientific origins. Fundamental concepts. Molecular descriptors and chemical spaces. Chemical spaces and molecular similarity.- Molecular similarity, dissimilarity, and diversity. Modification and simplification of chemical spaces. Compound classification and selection. Cluster analysis. Partitioning. Support vector machines. Similarity searching. Structural queries and graphs. Pharmacophores. Fingerprints. Machine learning methods. Genetic algorithms. Neural networks. Library design. Diverse libraries. Diversity estimation. Multi-objective design. Focused libraries. Quantitative structure-activity relationship analysis. Model building. Model evaluation. 3D-QSAR.- 4D-QSAR. Probabilistic methods. Virtual screening and compound filtering. Biologically active compounds. Virtual and high-throughput screening. Filter functions. From theory to practice. Database design. Compound selection for medicinal chemistry. Computational hit identification.- Practice and products sections: Accelrys. ACD Labs. Barnard Chemical Information Ltd. BioByte. CambridgeSoft. CAS/Scifinder. ChemAxon. Chemical Computing Group Inc. ChemInnovation Software, Inc. ChemNavigator. Chimera-Dock from UCSF. Collaborative Drug Discovery. Daylight. Eidogen-Sertanty (previously Libraria). Fujitsu Biosciences Group (previously Cache). Genego. GVK-Bio. Hypercube. IDBS. Infochem. Jubilant. Leadscope. MDL. Milano Chemometrics and QSAR Research Group. Molecular Discovery. Molecular Networks. Open Eye Scientific Software. Planaria-Software. PubChem. PyMol. RasMol and Protein Explore. Schrödinger, LLC. Scinova Technologies. Scitegic. Simulation Plus, Inc. Spotfire.-Summit PK. Symyx. TimTec. Tripos.



Ihre Fragen, Wünsche oder Anmerkungen
Vorname*
Nachname*
Ihre E-Mail-Adresse*
Kundennr.
Ihre Nachricht*
Lediglich mit * gekennzeichnete Felder sind Pflichtfelder.
Wenn Sie die im Kontaktformular eingegebenen Daten durch Klick auf den nachfolgenden Button übersenden, erklären Sie sich damit einverstanden, dass wir Ihr Angaben für die Beantwortung Ihrer Anfrage verwenden. Selbstverständlich werden Ihre Daten vertraulich behandelt und nicht an Dritte weitergegeben. Sie können der Verwendung Ihrer Daten jederzeit widersprechen. Das Datenhandling bei Sack Fachmedien erklären wir Ihnen in unserer Datenschutzerklärung.