Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

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Target fishing for chemical compounds using target-ligand activity data and ranking based methods.Structural-Similarity-Based Approaches for the Development of Clustering and QSPR/QSAR Models in Chemical Databases

P2860

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P2860

Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

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http://www.wikidata.org/entity/Q36955807

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2008 nî lūn-bûn

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2008年の論文

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2008年論文

@yue

2008年論文

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2008年論文

@zh-hk

2008年論文

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2008年論文

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2008年论文

@wuu

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2008年论文

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name

Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

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type

Item

label

Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

@en

prefLabel

Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

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P1476

Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

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P2093

George Karypis

http://www.w3.org/2001/XMLSchema#string

Ian A Watson

http://www.w3.org/2001/XMLSchema#string

Nikil Wale

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P2860

Do structurally similar molecules have similar biological activity?

Computational chemistry-driven decision making in lead generation

The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data.

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

Structural unit analysis identifies lead series and facilitates scaffold hopping in combinatorial chemistry.

On scaffolds and hopping in medicinal chemistry.

Lead hopping using SVM and 3D pharmacophore fingerprints.

Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up.

Virtual screening of molecular databases using a support vector machine.

ErG: 2D pharmacophore descriptions for scaffold hopping.

P304

730-741

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P31

scholarly article

P356

10.1021/CI700369E

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P577

2008-04-11T00:00:00Z

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P5875

5451170

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P698

18402435

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P932

2575819

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Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

about

P2860

P2860

Indirect similarity based methods for effective scaffold-hopping in chemical compounds.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P577

P5875

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P577

P5875

P698

P932