TY  - BOOK
AU  - 
AU  - Engel, Thomas,;Gasteiger, J.
ED  - 
ED  - 
ED  - 
ED  - 
TI  - : achievements and future opportunities 
SN  - 9783527806539
SN  - 2
PY  - 2018///]46
CY  - Weinheim, Germany
PB  - Wiley-VCH
KW  - 
KW  - 2
KW  - 0
KW  - 6
KW  - 20
KW  - Cheminformatics
KW  - Electronic books
N1  - Includes bibliographical references and index; 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; 5
N2  - Annotation
ER  -