QSAR modeling of imbalanced high-throughput screening data in PubChem (Q30756714)

22 August 2017

QSAR modeling of imbalanced high-throughput screening data in PubChem (English)

1 reference

high-throughput screening

22 August 2017

0 references

0 references

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

Marc C Nicklaus

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

3

Markus Sitzmann

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

author name string

Alexey V Zakharov

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

publication date

28 February 2014

1 reference

Journal of Chemical Information and Modeling

22 August 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

volume

54

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

issue

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

page(s)

705-712

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes

5 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Quantitative prediction of antitarget interaction profiles for chemical compounds

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Scientific workflow systems: Pipeline Pilot and KNIME

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

In silico prediction of toxic action mechanisms of phenols for imbalanced data with Random Forest learner

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

ChEMBL: a large-scale bioactivity database for drug discovery

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

PubChem as a public resource for drug discovery

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

QNA-based 'Star Track' QSAR approach.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

A novel method for mining highly imbalanced high-throughput screening data in PubChem

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Neural networks in building QSAR models

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Computer-aided prediction for medicinal chemistry via the Internet.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Coping with unbalanced class data sets in oral absorption models

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Machine learning methods for property prediction in chemoinformatics: Quo Vadis?

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Comparison of random forest and Pipeline Pilot Naïve Bayes in prospective QSAR predictions

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

A new approach to QSAR modelling of acute toxicity†

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3985743

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

25 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24524735

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CI400737S

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/ZakharovPSN14

5 June 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json

5 June 2020

PubMed publication ID

24524735

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24524735%20AND%20SRC:MED&resulttype=core&format=json