(Q27902305)

7

0 references

Gerard J. P. van Westen

3

object named as

Gerard J P van Westen

0 references

Isidro Cortés-Ciriano

object named as

Isidro Cortes-Ciriano

2

0 references

author name string

Daniel S Murrell

1

0 references

Ian P Stott

4

0 references

Thérèse E Malliavin

Journal of Cheminformatics

6

0 references

publication date

25 August 2015

1 reference

PMC publication ID

4551546

published in

1 reference

Creative Commons Attribution 4.0 International

volume

7

0 references

issue

1

0 references

page(s)

45

0 references

copyright license

start time

28 August 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

describes a project that uses

1 reference

ggplot

R package ggplot2

2 references

10 June 2022

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/efetch.fcgi?db=pmc&rettype=xml&id=4551546

CZ Software Mentions: A large dataset of software mentions in the biomedical literature

cites work

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Open Babel: An open chemical toolbox

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Bioconductor: open software development for computational biology and bioinformatics

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

ChEMBL: a large-scale bioactivity database for drug discovery

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Global analysis of small molecule binding to related protein targets

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Extended-connectivity fingerprints

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Proteochemometric modeling in a Bayesian framework

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

The use of the R language for medicinal chemistry applications

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity 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=4551546

PubChem's BioAssay Database

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Quantitative chemogenomics: machine-learning models of protein-ligand interaction

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Chemical substructures that enrich for 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=4551546

ChemmineR: a compound mining framework for R.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Development of reliable aqueous solubility models and their application in druglike analysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Chemogenomic approaches to rational drug design

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Reoptimization of MDL keys for use in drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4551546

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

Chemical Informatics Functionality in R

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

PLS-regression: a basic tool of chemometrics

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

Assessing model fit by cross-validation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

Evaluation of model predictive ability by external validation techniques

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0086-2

Applied Predictive Modeling

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0086-2

Building Predictive Models inRUsing thecaretPackage

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0086-2

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0086-2

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0086-2

10.1186/S13321-015-0086-2

5 February 2023

Identifiers

DOI

0 references

DBLP publication ID

journals/jcheminf/MurrellCWSBMG15

1 reference

DBLP Dataset 2021-01-02