(Q39535790)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27481279%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

title

Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling (English)

1 reference

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20 March 2020

author name string

Jaime Pérez-Villanueva

1

1 reference

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20 March 2020

Olivia Soria-Arteche

3

1 reference

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20 March 2020

Teresa Izquierdo

4

1 reference

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20 March 2020

M Concepción Lozada

5

1 reference

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20 March 2020

Walter A Gloria-Greimel

6

1 reference

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20 March 2020

publication date

10 February 2013

1 reference

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20 March 2020

published in

Molecular Informatics

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20 March 2020

volume

32

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20 March 2020

issue

2

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20 March 2020

page(s)

179-190

1 reference

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Chemoinformatics: a view of the field and current trends in method development

20 March 2020

cites work

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On Outliers and Activity Cliffs - Why QSAR Often Disappoints

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Exploring activity cliffs in medicinal chemistry

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Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs

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Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives

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Scanning structure-activity relationships with structure-activity similarity and related maps: from consensus activity cliffs to selectivity switches

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

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Combination Rules for Group Fusion in Similarity-Based Virtual Screening

21 January 2018

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Cyclooxygenase inhibitors--current status and future prospects

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The role of cyclooxygenase-2 in cell proliferation and cell death in human malignancies.

21 January 2018

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Cyclooxygenases and lipoxygenases in cancer

21 January 2018

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Algorithm for naming molecular equivalence classes represented by labeled pseudographs.

21 January 2018

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Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries

21 January 2018

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Hierarchical strategy for identifying active chemotype classes in compound databases

21 January 2018

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Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach

21 January 2018

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Molecular scaffold analysis of natural products databases in the public domain

21 January 2018

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Chemical Similarity Searching

21 January 2018

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Extended-connectivity fingerprints

21 January 2018

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Reoptimization of MDL keys for use in drug discovery

21 January 2018

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Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes.

21 January 2018

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Tork: Conformational analysis method for molecules and complexes

21 January 2018

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A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

21 January 2018

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Scaffold diversity of exemplified medicinal chemistry space

21 January 2018

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Navigating structure–activity landscapes

21 January 2018

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Activity landscape modeling of PPAR ligands with dual-activity difference maps.

21 January 2018

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From structure-activity to structure-selectivity relationships: quantitative assessment, selectivity cliffs, and key compounds

21 January 2018

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Computational analysis of multi-target structure-activity relationships to derive preference orders for chemical modifications toward target selectivity

21 January 2018

1 reference

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21 January 2018

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Consensus models of activity landscapes with multiple chemical, conformer, and property representations

21 January 2018

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Molecular modeling approaches for the prediction of the nonspecific binding of drugs to hepatic microsomes

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200127

CASE plots for the chemotype-based activity and selectivity analysis: a CASE study of cyclooxygenase inhibitors

8 April 2023

1 reference

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Rule-Based Classification of Chemical Structures by Scaffold

8 April 2023

2 references

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8 April 2023

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201100078

Bioactivity landscape modeling: chemoinformatic characterization of structure-activity relationships of compounds tested across multiple targets

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200127

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

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200127

8 April 2023

Identifiers

DOI

10.1002/MINF.201200127

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27481279%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

1 reference