Quantifying the relationships among drug classes (Q37294973)

19 August 2017

Quantifying the relationships among drug classes (English)

1 reference

19 August 2017

3

John J Irwin

0 references

Brian K. Shoichet

5

Brian K Shoichet

0 references

Michael J Keiser

Michael J Keiser

2

0 references

Tudor I Oprea

Tudor I Oprea

4

0 references

Jérôme Hert

1

Jérôme Hert

1 reference

PMCID

2722950

19 August 2017

language of work or name

1 reference

13 March 2008

1 reference

Journal of Chemical Information and Modeling

19 August 2017

1 reference

19 August 2017

48

1 reference

19 August 2017

4

1 reference

19 August 2017

755-765

1 reference

Relating protein pharmacology by ligand chemistry

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Global mapping of pharmacological space

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

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

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Chemogenomics: an emerging strategy for rapid target and drug discovery

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Kinomics-structural biology and chemogenomics of kinase inhibitors and targets

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

The metabolic world of Escherichia coli is not small

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Uncovering network systems within protein structures.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Reoptimization of MDL keys for use in drug discovery

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Modeling the Internet's large-scale topology.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

An ontology for pharmaceutical ligands and its application for in silico screening and library design

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Classes of small-world networks

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

"Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Emergence of Scaling in Random Networks

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Collective dynamics of 'small-world' networks

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Empirical statistical estimates for sequence similarity searches.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Methods for assessing the statistical significance of molecular sequence features by using general scoring schemes

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Basic local alignment search tool

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Enzyme classification by ligand binding

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Classification of kinase inhibitors using a Bayesian model

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Comparison of correlation vector methods for ligand-based similarity searching.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Small-world view of the amino acids that play a key role in protein folding.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

Search in power-law networks

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2722950

3 September 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Global properties of biological networks

1 reference

12 December 2020

Structure-activity relationship homology (SARAH): a conceptual framework for drug discovery in the genomic era

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/CI8000259

1 reference

journals/jcisd/HertKIOS08

19 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

19 August 2017

1 reference

PMCID

2722950