Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry
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Published By Wiley

9783527333646, 9783527665143

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Three‐Dimensional Scaffold Replacement Methods

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch11 ◽

2013 ◽

pp. 175-182

Author(s):

Nathan Brown

Keyword(s):

Three Dimensional

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Exploring Virtual Scaffold Spaces

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch05 ◽

2013 ◽

pp. 83-104

Author(s):

William R. Pitt ◽

Boris Kroeplien

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Scaffold Mining of Publicly Available Compound Data

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch04 ◽

2013 ◽

pp. 61-82

Author(s):

Ye Hu ◽

Jürgen Bajorath

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Similarity‐Based Scaffold Hopping Using 2D Fingerprints

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch06 ◽

2013 ◽

pp. 105-118

Author(s):

Peter Willett

Keyword(s):

Scaffold Hopping

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Markush Structures and Chemical Patents

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch02 ◽

2013 ◽

pp. 15-38

Author(s):

David Anthony Cosgrove

Keyword(s):

Markush Structures

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Reduced Graphs

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch08 ◽

2013 ◽

pp. 131-148

Author(s):

Kristian Birchall

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Case Study 2: Bioisosteric Replacements for the Neurokinin 1 Receptor (NK1R)

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch17 ◽

2013 ◽

pp. 259-278

Author(s):

Francesca Perruccio

Keyword(s):

Neurokinin 1 Receptor ◽

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Molecular Interaction Fingerprints

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch14 ◽

2013 ◽

pp. 215-230 ◽

Author(s):

Didier Rognan ◽

Jérémy Desaphy

Keyword(s):

Molecular Interaction ◽

Interaction Fingerprints

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Spherical Harmonic Molecular Surfaces (ParaSurf and ParaFit)

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch12 ◽

2013 ◽

pp. 183-194

Author(s):

David W. Ritchie ◽

Violeta I. Pérez‐Nueno

Keyword(s):

Spherical Harmonic ◽

Molecular Surfaces

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Feature Trees

Methods and Principles in Medicinal Chemistry - Scaffold Hopping in Medicinal Chemistry ◽

10.1002/9783527665143.ch09 ◽

2013 ◽

pp. 149-154

Author(s):

Nathan Brown

Keyword(s):

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