Applied chemoinformatics : achievements and future opportunities /

Bibliographic Details
Other Authors: Engel, Thomas (Editor), Gasteiger, J. (Editor)
Format: Printed Book
Language:English
Subjects:
Cheminformatics.
SCIENCE / Chemistry / Clinical.
Electronic books.
Online Access:Wiley Online Library - Full text
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-J�urgen 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 Racz, David Bajusz, Karoly Heberger
  • Chemoinformatics in Food Science / Andrea Pena-Castillo, Oscar Mendez-Lucio, John R Owen, Karina Martinez-Mayorga, Jose L Medina-Franco
  • Computational Approaches to Cosmetics Products Discovery / Soheila Anzali, Frank Pflucker, 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.

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