(Q36955807)

17 August 2017

Indirect similarity based methods for effective scaffold-hopping in chemical compounds (English)

1 reference

17 August 2017

3

George Karypis

1 reference

17 August 2017

Nikil Wale

1

1 reference

PMC publication ID

2575819

17 August 2017

Ian A Watson

series ordinal

2

1 reference

17 August 2017

11 April 2008

1 reference

Journal of Chemical Information and Modeling

17 August 2017

1 reference

17 August 2017

48

1 reference

17 August 2017

4

1 reference

17 August 2017

730-741

1 reference

On scaffolds and hopping in medicinal chemistry

17 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

Computational chemistry-driven decision making in lead generation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

Do structurally similar molecules have similar biological activity?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

ErG: 2D pharmacophore descriptions for scaffold hopping.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

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

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

Lead hopping using SVM and 3D pharmacophore fingerprints

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

Virtual screening of molecular databases using a support vector machine.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2575819

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

4 September 2018

1 reference

12 December 2020

Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients

1 reference

12 December 2020

1 reference

12 December 2020

Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: ranking, voting, and consensus scoring

1 reference

12 December 2020

Chemical Similarity Searching

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI9800211

12 September 2021

Identifiers

DOI

10.1021/CI700369E

1 reference

17 August 2017

journals/jcisd/WaleWK08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PMC publication ID

2575819

17 August 2017

PubMed publication ID

18402435

1 reference

PMC publication ID

2575819