Coverart for item
The Resource Frontiers in molecular design and chemical information science : Herman Skolnik Award Symposium 2015 : Jürgen Bajorath [recipient], Rachelle J. Bienstock, editor, RJB Computational Modeling LLC, North Carolina State University, Veerabahu Shanmugasundaram, editor, Pfizer Worldwide Research & Development, Jürgen Bajorath, editor, University of Bonn, University of Washington ; sponsored by the ACS Division of Chemical Information

Frontiers in molecular design and chemical information science : Herman Skolnik Award Symposium 2015 : Jürgen Bajorath [recipient], Rachelle J. Bienstock, editor, RJB Computational Modeling LLC, North Carolina State University, Veerabahu Shanmugasundaram, editor, Pfizer Worldwide Research & Development, Jürgen Bajorath, editor, University of Bonn, University of Washington ; sponsored by the ACS Division of Chemical Information

Label
Frontiers in molecular design and chemical information science : Herman Skolnik Award Symposium 2015 : Jürgen Bajorath [recipient]
Title
Frontiers in molecular design and chemical information science
Title remainder
Herman Skolnik Award Symposium 2015 : Jürgen Bajorath [recipient]
Statement of responsibility
Rachelle J. Bienstock, editor, RJB Computational Modeling LLC, North Carolina State University, Veerabahu Shanmugasundaram, editor, Pfizer Worldwide Research & Development, Jürgen Bajorath, editor, University of Bonn, University of Washington ; sponsored by the ACS Division of Chemical Information
Creator
Contributor
Editor
Subject
Genre
Language
eng
Member of
Cataloging source
DLC
Dewey number
542/.85
Illustrations
illustrations
Index
index present
LC call number
QD8.3
Literary form
non fiction
http://bibfra.me/vocab/lite/meetingDate
2015
http://bibfra.me/vocab/lite/meetingName
Herman Skolnik Award Symposium
Nature of contents
  • dictionaries
  • bibliography
NLM call number
QD8.3
NLM item number
H551 2015
http://library.link/vocab/relatedWorkOrContributorName
  • Bienstock, Rachelle J.
  • Shanmugasundaram, Veerabahu
  • Bajorath, Jürgen
  • American Chemical Society
Series statement
ACS symposium series
Series volume
1222
http://library.link/vocab/subjectName
  • Bajorath, Jürgen
  • Chemistry
  • Cheminformatics
  • Chemistry
  • Herman Skolnik Award
  • Chemistry
  • Information Services
  • Informatics
  • Ligands
  • Models, Molecular
  • Drug Delivery Systems
  • Drug Interactions
  • Chemical Industry
  • Computer Graphics
  • Image Processing, Computer-Assisted
  • Models, Theoretical
  • Engineering
  • User-Computer Interface
  • SCIENCE / Chemistry / Computational & Molecular Modeling
  • SCIENCE / Chemistry / Analytic
  • TECHNOLOGY & ENGINEERING / Chemical & Biochemical
  • Cheminformatics
  • Chemistry
  • Chemistry
  • Herman Skolnik Award
Label
Frontiers in molecular design and chemical information science : Herman Skolnik Award Symposium 2015 : Jürgen Bajorath [recipient], Rachelle J. Bienstock, editor, RJB Computational Modeling LLC, North Carolina State University, Veerabahu Shanmugasundaram, editor, Pfizer Worldwide Research & Development, Jürgen Bajorath, editor, University of Bonn, University of Washington ; sponsored by the ACS Division of Chemical Information
Instantiates
Publication
Distribution
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • Network Variants for Analyzing Target-Ligand Interactions
  • Hu, Ye; Bajorath, Jürgen /
  • Going Beyond R-Group Tables
  • Shanmugasundaram, Veerabahu; Zhang, Liying; Poss, Christopher; Milbank, Jared; Starr, Jeremy /
  • Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status
  • Willett, Peter /
  • Frontiers in Molecular Design and Chemical Information Science: Introduction
  • Non-Specificity of Drug-Target Interactions {u2013} Consequences for Drug Discovery
  • Maggiora, Gerald; Gokhale, Vijay /
  • Coping with Complexity in Ligand-Based De Novo Design
  • Schneider, Gisbert, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland; Schneider, Petra, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland, inSili.com LLC, Segantinisteig 3, CH-8049 Zurich, Switzerland /
  • Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants
  • Kaneko, Hiromasa; Funatsu, Kimito /
  • Data Visualization & Clustering: Generative Topographic Mapping Similarity Assessment Allied to Graph Theory Clustering
  • Bienstock, Rachelle J. /
  • Escobar, Matheus de Souza; Kaneko, Hiromasa; Funatsu, Kimito /
  • Generative Topographic Mapping Approach to Chemical Space Analysis
  • Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Sidorov, Pavel, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Horvath, Dragos, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Marcou, Gilles, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia /
  • Visualization of a Multidimensional Descriptor Space
  • Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan 420008, Russia; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France /
  • The Application of Cheminformatics in the Analysis of High-Throughput Screening Data
  • Walters, W. Patrick; Aronov, Alexander; Goldman, Brian; McClain, Brian; Perola, Emanuele; Weiss, Jonathan /
  • Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models
  • Tseng, Yufeng J., Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106, Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Su, Bo-Han, Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Hsu, Ming-Tsung, Genome and Systems Biology Degree Program, National Taiwan University and Academia Sinica, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Lin, Olivia A., Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106 /
  • How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space
  • Lounkine, Eugen; Camargo, Miguel L. /
  • The Many Facets of Screening Library Design
  • Boehm, Markus; Zhang, Liying; Bodycombe, Nicole; Maciejewski, Mateusz; Wassermann, Anne Mai /
  • Complexity and Heterogeneity of Data for Chemical Information Science
  • Editors{u2019} Biographies /
  • Bajorath, Jürgen /
  • Exploring Molecular Promiscuity from a Ligand and Target Perspective
  • Hu, Ye; Bajorath, Jürgen /
Control code
959922502
Dimensions
unknown
Extent
1 online resource (x, 376 pages)
Form of item
online
Isbn
9780841231405
Lccn
2016045731
Media category
computer
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations (some color).
Specific material designation
remote
System control number
(OCoLC)959922502
Label
Frontiers in molecular design and chemical information science : Herman Skolnik Award Symposium 2015 : Jürgen Bajorath [recipient], Rachelle J. Bienstock, editor, RJB Computational Modeling LLC, North Carolina State University, Veerabahu Shanmugasundaram, editor, Pfizer Worldwide Research & Development, Jürgen Bajorath, editor, University of Bonn, University of Washington ; sponsored by the ACS Division of Chemical Information
Publication
Distribution
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • Network Variants for Analyzing Target-Ligand Interactions
  • Hu, Ye; Bajorath, Jürgen /
  • Going Beyond R-Group Tables
  • Shanmugasundaram, Veerabahu; Zhang, Liying; Poss, Christopher; Milbank, Jared; Starr, Jeremy /
  • Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status
  • Willett, Peter /
  • Frontiers in Molecular Design and Chemical Information Science: Introduction
  • Non-Specificity of Drug-Target Interactions {u2013} Consequences for Drug Discovery
  • Maggiora, Gerald; Gokhale, Vijay /
  • Coping with Complexity in Ligand-Based De Novo Design
  • Schneider, Gisbert, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland; Schneider, Petra, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland, inSili.com LLC, Segantinisteig 3, CH-8049 Zurich, Switzerland /
  • Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants
  • Kaneko, Hiromasa; Funatsu, Kimito /
  • Data Visualization & Clustering: Generative Topographic Mapping Similarity Assessment Allied to Graph Theory Clustering
  • Bienstock, Rachelle J. /
  • Escobar, Matheus de Souza; Kaneko, Hiromasa; Funatsu, Kimito /
  • Generative Topographic Mapping Approach to Chemical Space Analysis
  • Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Sidorov, Pavel, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Horvath, Dragos, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Marcou, Gilles, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia /
  • Visualization of a Multidimensional Descriptor Space
  • Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan 420008, Russia; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France /
  • The Application of Cheminformatics in the Analysis of High-Throughput Screening Data
  • Walters, W. Patrick; Aronov, Alexander; Goldman, Brian; McClain, Brian; Perola, Emanuele; Weiss, Jonathan /
  • Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models
  • Tseng, Yufeng J., Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106, Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Su, Bo-Han, Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Hsu, Ming-Tsung, Genome and Systems Biology Degree Program, National Taiwan University and Academia Sinica, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Lin, Olivia A., Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106 /
  • How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space
  • Lounkine, Eugen; Camargo, Miguel L. /
  • The Many Facets of Screening Library Design
  • Boehm, Markus; Zhang, Liying; Bodycombe, Nicole; Maciejewski, Mateusz; Wassermann, Anne Mai /
  • Complexity and Heterogeneity of Data for Chemical Information Science
  • Editors{u2019} Biographies /
  • Bajorath, Jürgen /
  • Exploring Molecular Promiscuity from a Ligand and Target Perspective
  • Hu, Ye; Bajorath, Jürgen /
Control code
959922502
Dimensions
unknown
Extent
1 online resource (x, 376 pages)
Form of item
online
Isbn
9780841231405
Lccn
2016045731
Media category
computer
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations (some color).
Specific material designation
remote
System control number
(OCoLC)959922502

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