(Q30653107)

25 June 2017

The design of combinatorial libraries using properties and 3D pharmacophore fingerprints (English)

1 reference

25 June 2017

B R. Beno

1

1 reference

PubMed ID

11182598

25 June 2017

J S. Mason

series ordinal

2

1 reference

25 June 2017

1 March 2001

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25 June 2017

1 reference

25 June 2017

6

1 reference

25 June 2017

251-258

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25 June 2017

5

1 reference

Metric Validation and the Receptor-Relevant Subspace Concept

25 June 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Computational methods in molecular diversity and combinatorial chemistry

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

The in silico world of virtual libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Chemoinformatics - similarity and diversity in chemical libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Evaluation of reagent-based and product-based strategies in the design of combinatorial library subsets

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Binning schemes for partition-based compound selection.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Classification of kinase inhibitors using BCUT descriptors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Chemical Similarity Searching

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Rational combinatorial library design. 3. Simulated annealing guided evaluation (SAGE) of molecular diversity: a novel computational tool for universal library design and database mining.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Pharmacophore fingerprinting. 2. Application to primary library design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Enhancing the hit-to-lead properties of lead optimization libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

New methodology for profiling combinatorial libraries and screening sets: cleaning up the design process with HARPick

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

A rapid computational method for lead evolution: description and application to alpha(1)-adrenergic antagonists

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Design of libraries to explore receptor sites

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

DIVSEL and COMPLIB--strategies for the design and comparison of combinatorial libraries using pharmacophoric descriptors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Pharmacophore fingerprinting. 1. Application to QSAR and focused library design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Structure of human des(1-45) factor Xa at 2.2 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Extending the trend vector: the trend matrix and sample-based partial least squares

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Beyond mere diversity: tailoring combinatorial libraries for drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Chemoinformatics - predicting the physicochemical properties of 'drug-like' molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

Recognizing molecules with drug-like properties

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2800%2901665-2

7 January 2021

10.1016/S1359-6446(00)01665-2

Identifiers

DOI

1 reference

25 June 2017

1 reference

PubMed ID

11182598