Applied chemoinformatics : achievements and future opportunities /
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| Other Authors: | , |
| Format: | eBook |
| Language: | English |
| Published: |
Weinheim :
Wiley-VCH,
2018.
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| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Introduction / Thomas Engel, Johann Gasteiger
- QSAR/QSPR / Wolfgang Sippl, Dina Robaa
- Prediction of Physicochemical Properties of Compounds / Igor V Tetko, Aixia Yan, Johann Gasteiger
- Chemical Reactions
- Chemical Reactions. Chemical Reactions - An Introduction / Johann Gasteiger
- Reaction Prediction and Synthesis Design / Jonathan M Goodman
- Explorations into Biochemical Pathways / Oliver Sacher, Johann Gasteiger
- Structure-Spectrum Correlations and Computer-Assisted Structure Elucidation / Joao Aires de Sousa
- Drug Discovery: An Overview / Lothar Terfloth, Simon Spycher, Johann Gasteiger
- Bridging Information on Drugs, Targets, and Diseases / Andreas Steffen, Bertram Weiss
- Chemoinformatics in Natural Product Research / Teresa Kaserer, Daniela Schuster, Judith M Rollinger
- Chemoinformatics of Chinese Herbal Medicines / Jun Xu
- PubChem / Wolf-D Ihlenfeldt
- Pharmacophore Perception and Applications / Thomas Seidel, Gerhard Wolber, Manuela S Murgueitio
- Prediction, Analysis, and Comparison of Active Sites / Andrea Volkamer, Mathias M Behren, Stefan Bietz, Matthias Rarey
- Structure-Based Virtual Screening / Adrian Kolodzik, Nadine Schneider, Matthias Rarey
- Prediction of ADME Properties / Aixia Yan
- Prediction of Xenobiotic Metabolism / Anthony Long, Ernest Murray
- Chemoinformatics at the CADD Group of the National Cancer Institute / Megan L Peach, Marc C Nicklaus
- Uncommon Data Sources for QSAR Modeling / Alexander Tropsha
- Future Perspectives of Computational Drug Design / Gisbert Schneider
- Computational Approaches in Agricultural Research / Klaus-Jürgen Schleifer
- Chemoinformatics in Modern Regulatory Science / Chihae Yang, James F Rathman, Aleksey Tarkhov, Oliver Sacher, Thomas Kleinoeder, Jie Liu, Thomas Magdziarz, Aleksandra Mostraq, Joerg Marusczyk, Darshan Mehta, Christof Schwab, Bruno Bienfait
- Chemometrics in Analytical Chemistry / Anita Rácz, Dávid Bajusz, Károly Héberger
- Chemoinformatics in Food Science / Andrea Peña-Castillo, Oscar Méndez-Lucio, John R Owen, Karina Martínez-Mayorga, José L Medina-Franco
- Computational Approaches to Cosmetics Products Discovery / Soheila Anzali, Frank Pflücker, Lilia Heider, Alfred Jonczyk
- Applications in Materials Science / Tu C Le, David A Winkler
- Process Control and Soft Sensors / Kimito Funatsu
- Future Directions / Johann Gasteiger.