Volume 29, Issue 9

Search all Journal of Computer-Aided Molecular Design articles

September 2015

Special Issue on Data Part 2: Experimental Data

Issue Editors:

Christian Kramer,
John Chodera,
Terry R. Stouch

11 articles in this issue

Introduction to the special issue: Data Part 2: Experimental Data
Christian Kramer
John Chodera
Terry Stouch
Editorial 01 October 2015 Pages: 777 - 777
Interpreting physicochemical experimental data sets
Nicola Colclough
Mark C. Wenlock
OriginalPaper 09 June 2015 Pages: 779 - 794
Time dependent analysis of assay comparability: a novel approach to understand intra- and inter-site variability over time
Susanne Winiwarter
Brian Middleton
Claire Landqvist
OriginalPaper 20 February 2015 Pages: 795 - 807
The challenges of making decisions using uncertain data
Matthew D. Segall
Edmund J. Champness
OriginalPaper 01 July 2015 Pages: 809 - 816
Models of protein–ligand crystal structures: trust, but verify
Marc C. Deller
Bernhard Rupp
OriginalPaper 10 February 2015 Pages: 817 - 836
Presenting data in such a fashion that they can be used by other scientists
J. Peter Guthrie
OriginalPaper 22 September 2015 Pages: 837 - 846
Data quality in drug discovery: the role of analytical performance in ligand binding assays
Hermann Wätzig
Imke Oltmann-Norden
Sami El Deeb
OriginalPaper 13 June 2015 Pages: 847 - 865
Thermodynamics of protein–ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data
Stefan G. Krimmer
Gerhard Klebe
OriginalPaper 16 September 2015 Pages: 867 - 883
Activity, assay and target data curation and quality in the ChEMBL database
George Papadatos
Anna Gaulton
John P. Overington
OriginalPaper Open access 23 July 2015 Pages: 885 - 896
Tales from the war on error: the art and science of curating QSAR data
Marvin Waldman
Robert Fraczkiewicz
Robert D. Clark
OriginalPaper 20 August 2015 Pages: 897 - 910
The impact of data integrity on decision making in early lead discovery
Bernd Beck
Daniel Seeliger
Jan M. Kriegl
OriginalPaper 26 September 2015 Pages: 911 - 921

Volume 29, Issue 9

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