Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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2016 nî lūn-bûn

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2016 թուականին հրատարակուած գիտական յօդուած

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2016 թվականին հրատարակված գիտական հոդված

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2016年の論文

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2016年論文

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2016年論文

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2016年論文

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2016年論文

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2016年論文

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2016年论文

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

@ast

Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

@en

Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

@en

Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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P1476

Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

@en

P2093

Ming Hao

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

Yanli Wang

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P2860

DrugBank: a knowledgebase for drugs, drug actions and drug targets

ChEMBL: a large-scale bioactivity database for drug discovery

PubChem as a Source of Polypharmacology

Matched molecular pair analysis of small molecule microarray data identifies promiscuity cliffs and reveals molecular origins of extreme compound promiscuity.

Do medicinal chemists learn from activity cliffs? A systematic evaluation of cliff progression in evolving compound data sets.

An efficient algorithm coupled with synthetic minority over-sampling technique to classify imbalanced PubChem BioAssay data.

Managing molecular diversity.

Data mining a small molecule drug screening representative subset from NIH PubChem.

Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data.

Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets.

P2888

s13321-016-0150-6

P304

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scholarly article

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170514

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P356

10.1186/S13321-016-0150-6

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P407

English

P433

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

P478

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

P50

Stephen H Bryant

P577

2016-01-01T00:00:00Z

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P6179

1004368076

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P698

27398098

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P921

PubChem

cheminformatics

P932

4938998

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