Librarian View
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161109s2016 dcua ob 101 0 eng d
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9780841231405
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electronic
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8
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bk-2016-1222
035
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ccn00780007
040
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NjRocCCS
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eng
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rda
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NjRocCCS
050
4
|a
QD8.3
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.H47 2015
060
4
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QD8.3
|b
H551 2015
111
2
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Herman Skolnik Award Symposium
|d
(2015 :
|c
Boston, Mass.),
|j
author.
245
1
0
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Frontiers in molecular design and chemical information science :
|b
herman skolnik award symposium 2015 : jürgen bajorath [recipient] /
|c
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.
246
3
0
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Herman Skolnik Award Symposium 2015: Jürgen Bajorath [recipient]
264
1
|a
Washington, DC :
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American Chemical Society,
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2016.
300
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1 online resource (386 pages) :
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illustrations.
336
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text
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txt
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rdacontent
337
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computer
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c
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rdamedia
338
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online resource
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cr
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rdacarrier
490
1
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ACS symposium series,
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1947-5918 ;
|v
1222
500
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Distributed in print by Oxford University Press.
504
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Includes bibliographical references and index.
505
0
0
|t
Frontiers in Molecular Design and Chemical Information Science: Introduction /
|r
Bienstock, Rachelle J. /
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http://dx.doi.org/10.1021/bk-2016-1222.ch001 --
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Complexity and Heterogeneity of Data for Chemical Information Science /
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Bajorath, Jürgen /
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http://dx.doi.org/10.1021/bk-2016-1222.ch002 --
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Exploring Molecular Promiscuity from a Ligand and Target Perspective /
|r
Hu, Ye; Bajorath, Jürgen /
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http://dx.doi.org/10.1021/bk-2016-1222.ch003 --
|t
Network Variants for Analyzing Target-Ligand Interactions /
|r
Hu, Ye; Bajorath, Jürgen /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch004 --
|t
Going Beyond R-Group Tables /
|r
Shanmugasundaram, Veerabahu; Zhang, Liying; Poss, Christopher; Milbank, Jared; Starr, Jeremy /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch005 --
|t
Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status /
|r
Willett, Peter /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch006 --
|t
Non-Specificity of Drug-Target Interactions - Consequences for Drug Discovery /
|r
Maggiora, Gerald; Gokhale, Vijay /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch007 --
|t
Coping with Complexity in Ligand-Based De Novo Design /
|r
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 /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch008 --
|t
Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants /
|r
Kaneko, Hiromasa; Funatsu, Kimito /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch009 --
|t
Data Visualization & Clustering: Generative Topographic Mapping Similarity Assessment Allied to Graph Theory Clustering /
|r
Escobar, Matheus de Souza; Kaneko, Hiromasa; Funatsu, Kimito /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch010 --
|t
Generative Topographic Mapping Approach to Chemical Space Analysis /
|r
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 /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch011 --
|t
Visualization of a Multidimensional Descriptor Space /
|r
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 /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch012 --
|t
The Application of Cheminformatics in the Analysis of High-Throughput Screening Data /
|r
Walters, W. Patrick; Aronov, Alexander; Goldman, Brian; McClain, Brian; Perola, Emanuele; Weiss, Jonathan /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch013 --
|t
Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models /
|r
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 /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch014 --
|t
How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space /
|r
Lounkine, Eugen; Camargo, Miguel L. /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch015 --
|t
The Many Facets of Screening Library Design /
|r
Boehm, Markus; Zhang, Liying; Bodycombe, Nicole; Maciejewski, Mateusz; Wassermann, Anne Mai /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ch016 --
|t
Editors' Biographies /
|u
http://dx.doi.org/10.1021/bk-2016-1222.ot001
506
|a
Access restricted by licensing agreement.
588
|a
Description based on publisher-supplied information and home-page.
590
|a
Access is available to the Yale community.
600
1
0
|a
Bajorath, Jürgen.
650
0
|a
Chemistry
|x
Information services
|v
Congresses.
650
0
|a
Cheminformatics
|v
Congresses.
650
0
|a
Chemistry
|v
Congresses
|v
Congresses.
650
0
|a
Ligands
|v
Congresses.
650
0
|a
Ligand field theory
|v
Congresses.
650
0
|a
R-matrices
|v
Congresses.
650
0
|a
Drug targeting
|v
Congresses.
650
0
|a
Drug interactions
|v
Congresses.
650
0
|a
Chemical plants
|v
Congresses.
650
0
|a
Information visualization
|v
Congresses.
650
0
|a
Graph theory
|v
Congresses.
650
0
|a
Multidisciplinary design optimization
|v
Congresses.
650
0
|a
Virtual computer systems
|v
Congresses.
650
1
2
|a
Chemistry.
650
1
2
|a
Information Services.
650
1
2
|a
Informatics.
650
1
2
|a
Ligands.
650
1
2
|a
Models, Molecular.
650
1
2
|a
Drug Delivery Systems.
650
1
2
|a
Drug Interactions.
650
1
2
|a
Chemical Industry.
650
1
2
|a
Computer Graphics.
650
1
2
|a
Image Processing, Computer-Assisted.
650
1
2
|a
Models, Theoretical.
650
1
2
|a
Engineering
|x
methods.
650
1
2
|a
User-Computer Interface.
650
2
2
|a
Congresses.
655
7
|a
Conference papers and proceedings.
|2
lcgft
700
1
|a
Bienstock, Rachelle J.,
|e
editor.
|u
RJB Computational Modeling LLC, Chapel Hill, North Carolina, United States, and North Carolina State University, Raleigh, North Carolina, United States.
700
1
|a
Shanmugasundaram, Veerabahu,
|e
editor.
|u
Pfizer Worldwide Research & Development Groton, Connecticut, United States.
700
1
|a
Bajorath, Jürgen,
|e
editor.
|u
University of Bonn, Bonn, Germany, and University of Washington, Seattle, Washington, United States.
710
2
|a
American Chemical Society.
|b
Division of Chemical Information,
|e
sponsoring body.
730
0
|a
ACS symposium series.
776
1
|c
Original
|z
9780841231412 (alk. paper)
830
0
|a
ACS symposium series ;
|v
1222.
|x
1947-5918
852
8
0
|b
yulintx
|h
None
|z
Online resource
852
8
0
|z
Online resource
856
4
0
|y
Online book
|u
https://yale.idm.oclc.org/login?URL=https://pubs.acs.org/doi/book/10.1021/bk-2016-1222
901
|a
QD8.3
902
|a
Yale Internet Resource
|b
Yale Internet Resource >> None|DELIM|16532679
905
|a
online resource
907
|a
2023-04-27T16:10:42.000Z
946
|a
DO NOT EDIT. DO NOT EXPORT.
953
|a
https://pubs.acs.org/doi/book/10.1021/bk-2016-1222