(Q33237551)

24 July 2017

title

Assessing the scaffold diversity of screening libraries (English)

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24 July 2017

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Mireille Krier

1

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Didier Rognan

series ordinal

3

object named as

Didier Rognan

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24 July 2017

Guillaume Bret

2

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24 July 2017

publication date

1 March 2006

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Journal of Chemical Information and Modeling

24 July 2017

published in

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Papers from the Seventh International Conference on Chemical Structures, Noordwijkerhout, The Netherlands, June 2005

24 July 2017

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volume

46

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24 July 2017

issue

2

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24 July 2017

page(s)

512-524

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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

24 July 2017

cites work

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Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds

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

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Library design for fragment based screening

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Design of small-sized libraries by combinatorial assembly of linkers and functional groups to a given scaffold: application to the structure-based optimization of a phosphodiesterase 4 inhibitor

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Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets.

1 October 2024

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Molecular diversity in chemical databases: comparison of medicinal chemistry knowledge bases and databases of commercially available compounds.

1 October 2024

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The properties of known drugs. 1. Molecular frameworks

1 October 2024

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A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design

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1 October 2024

Identifiers

DOI

10.1021/CI050352V

1 reference

24 July 2017

DBLP publication ID

journals/jcisd/KrierBR06

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference