Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015: Jürgen Bajorath - ACS Symposium Series
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The Application of Cheminformatics in the Analysis of High-Throughput Screening Data

2016 ◽  
pp. 269-282
Author(s):  
W. Patrick Walters ◽  
Alexander Aronov ◽  
Brian Goldman ◽  
Brian McClain ◽  
Emanuele Perola ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening

Going Beyond R-Group Tables

2016 ◽  
pp. 53-66
Author(s):  
Veerabahu Shanmugasundaram ◽  
Liying Zhang ◽  
Christopher Poss ◽  
Jared Milbank ◽  
Jeremy Starr

Generative Topographic Mapping Approach to Chemical Space Analysis

2016 ◽  
pp. 211-241 ◽  
Author(s):  
Héléna A. Gaspar ◽  
Pavel Sidorov ◽  
Dragos Horvath ◽  
Igor I. Baskin ◽  
Gilles Marcou ◽  
...  
Keyword(s):  
Chemical Space ◽  
Topographic Mapping ◽  
Generative Topographic Mapping ◽  
Space Analysis ◽  
Mapping Approach

Preface

2016 ◽  
pp. ix-x
Author(s):  
Rachelle J. Bienstock ◽  
Veerabahu Shanmugasundaram ◽  
Jürgen Bajorath

The Many Facets of Screening Library Design

2016 ◽  
pp. 345-364 ◽  
Author(s):  
Markus Boehm ◽  
Liying Zhang ◽  
Nicole Bodycombe ◽  
Mateusz Maciejewski ◽  
Anne Mai Wassermann
Keyword(s):  
Library Design ◽  
The Many ◽  
Screening Library
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