(Q39535358)

12 September 2017

title

Activity Landscapes, Information Theory, and Structure - Activity Relationships (English)

1 reference

12 September 2017

2

Dagmar Stumpfe

1 reference

12 September 2017

1

Preeti Iyer

1 reference

12 September 2017

3

Martin Vogt

1 reference

12 September 2017

J Bajorath

4

1 reference

12 September 2017

G M Maggiora

series ordinal

5

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12 September 2017

publication date

27 February 2013

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12 September 2017

published in

Molecular Informatics

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12 September 2017

volume

32

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12 September 2017

issue

5-6

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12 September 2017

page(s)

421-430

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ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr

12 September 2017

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21 January 2018

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Consensus scoring criteria for improving enrichment in virtual screening

21 January 2018

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Combination of fingerprint-based similarity coefficients using data fusion

21 January 2018

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Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

21 January 2018

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Modeling of activity landscapes for drug discovery

21 January 2018

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Exploring Structure-Activity Data Using the Landscape Paradigm

21 January 2018

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Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

21 January 2018

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From activity cliffs to activity ridges: informative data structures for SAR analysis

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21 January 2018

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Scaffold selection and scaffold hopping in lead generation: a medicinal chemistry perspective

21 January 2018

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Classification of scaffold-hopping approaches

21 January 2018

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Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential

21 January 2018

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Lessons learned from molecular scaffold analysis

21 January 2018

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Chemical genetic discovery of targets and anti-targets for cancer polypharmacology

21 January 2018

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Polypharmacology directed compound data mining: identification of promiscuous chemotypes with different activity profiles and comparison to approved drugs

21 January 2018

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21 January 2018

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21 January 2018

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Local structural changes, global data views: graphical substructure-activity relationship trailing

21 January 2018

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Extended-connectivity fingerprints

21 January 2018

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Searching techniques for databases of two- and three-dimensional chemical structures.

21 January 2018

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Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffs.

21 January 2018

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21 January 2018

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21 January 2018

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Unsupervised forward selection: a method for eliminating redundant variables.

21 January 2018

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Comprehensive analysis of single- and multi-target activity cliffs formed by currently available bioactive compounds

21 January 2018

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MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs

8 April 2023

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https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200120

Activity landscape representations for structure-activity relationship analysis

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200120

On promiscuity, changing environments and the possibility of replaying the molecular tape of life

8 April 2023

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https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200120

Multitarget structure-activity relationships characterized by activity-difference maps and consensus similarity measure

8 April 2023

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https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200120

Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200120

8 April 2023

Identifiers

DOI

10.1002/MINF.201200120

1 reference

12 September 2017

1 reference