(Q38910044)

7 September 2017

title

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization (English)

1 reference

7 September 2017

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463193%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Sarah R Langdon

series ordinal

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463193%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

author name string

Nathan Brown

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463193%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

publication date

5 May 2010

1 reference

7 September 2017

published in

Molecular Informatics

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463193%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

volume

29

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11 June 2020

issue

5

1 reference

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11 June 2020

page(s)

366-385

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463193%20AND%20SRC:MED&resulttype=core&format=json

Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

11 June 2020

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8 April 2023

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8 April 2023

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The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification

8 April 2023

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Novel technologies for virtual screening

8 April 2023

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Theoretical hydrogen bonding parameters for drug design.

8 April 2023

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Shapelets: Possibilities and limitations of shape-based virtual screening

8 April 2023

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Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.

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8 April 2023

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8 April 2023

Leadhopping - and beyond

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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Scaffold hopping with molecular field points: identification of a cholecystokinin-2 (CCK2) receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists

8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.

8 April 2023

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8 April 2023

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8 April 2023

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1-(5-Carboxyindol-1-yl)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: synthesis and properties of bioisosteric benzimidazole, benzotriazole and indazole analogues

8 April 2023

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Improved replicon cellular activity of non-nucleoside allosteric inhibitors of HCV NS5B polymerase: from benzimidazole to indole scaffolds.

8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening

8 April 2023

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Heteroaromatic rings of the future.

8 April 2023

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QSAR--how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data sets

8 April 2023

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A knowledge-based weighting approach to ligand-based virtual screening

8 April 2023

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8 April 2023

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8 April 2023

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New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

8 April 2023

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Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds

8 April 2023

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On scaffolds and hopping in medicinal chemistry

8 April 2023

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"Lead hopping". Validation of topomer similarity as a superior predictor of similar biological activities

8 April 2023

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8 April 2023

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8 April 2023

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8 April 2023

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Self-Organized Formation of Topologically Correct Feature Maps

8 April 2023

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Ultrafast shape recognition to search compound databases for similar molecular shapes.

8 April 2023

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8 April 2023

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The quest for bioisosteric replacements.

8 April 2023

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8 April 2023

Identifiers

DOI

10.1002/MINF.201000019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463193%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

1 reference