(Q42244180)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

title

Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

1 reference

1 reference

1 reference

1

1 reference

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21 March 2020

Víctor Sebastián-Pérez

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

María J Martínez

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Fiorella Cravero

6

1 reference

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21 March 2020

Mónica F Díaz

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

author name string

Carlos Requena-Triguero

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Carlos Roca

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Juan A Páez

8

1 reference

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21 March 2020

Ramón Gómez Arrayás

9

1 reference

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21 March 2020

Javier Adrio

10

1 reference

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21 March 2020

Nuria E Campillo

11

1 reference

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21 March 2020

language of work or name

English

0 references

publication date

25 May 2017

1 reference

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21 March 2020

1 reference

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21 March 2020

volume

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

issue

1

1 reference

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21 March 2020

page(s)

2403

1 reference

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Creative Commons Attribution 4.0 International

21 March 2020

copyright license

start time

25 May 2017

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Descriptors and their selection methods in QSAR analysis: paradigm for drug design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

QSAR Accelerated Discovery of Potent Ice Recrystallization Inhibitors.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Have artificial neural networks met expectations in drug discovery as implemented in QSAR framework?

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Predicting human intestinal absorption of diverse chemicals using ensemble learning based QSAR modeling approaches

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Chemoinformatics: Achievements and Challenges, a Personal View

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Quantitative structure-activity relationship: promising advances in drug discovery platforms

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

An in silico platform for predicting, screening and designing of antihypertensive peptides.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Choosing feature selection and learning algorithms in QSAR.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

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

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Is enantioselectivity predictable in asymmetric catalysis?

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Evaluation of dynamic polar molecular surface area as predictor of drug absorption: comparison with other computational and experimental predictors

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Science of the science, drug discovery and artificial neural networks.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Neural computational prediction of oral drug absorption based on CODES 2D descriptors.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

QSPR models for predicting log P(liver) values for volatile organic compounds combining statistical methods and domain knowledge.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Biaryl phosphites: new efficient adaptative ligands for Pd-catalyzed asymmetric allylic substitution reactions

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Asymmetric allylic alkylation, an enabling methodology

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5445096

Feature Learning applied to the Estimation of Tensile Strength at Break in Polymeric Material Design.

17 August 2018

1 reference

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Asymmetric transition-metal-catalyzed allylic alkylations: applications in total synthesis

21 January 2018

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12 December 2020

Classification of drugs in absorption classes using the classification and regression trees (CART) methodology

1 reference

12 December 2020

Metal-catalyzed enantioselective allylation in asymmetric synthesis

1 reference

12 December 2020

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

1 reference

12 December 2020

CODES/Neural Network Model: a Useful Tool for in Silico Prediction of Oral Absorption and Blood-Brain Barrier Permeability of Structurally Diverse Drugs

1 reference

https://api.crossref.org/works/10.1038%2FS41598-017-02114-3

7 January 2021

inferred from DOI database lookup

Thioether containing ligands for asymmetric allylic substitution reactions

1 reference

https://api.crossref.org/works/10.1038%2FS41598-017-02114-3

7 January 2021

inferred from DOI database lookup

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

https://api.crossref.org/works/10.1038%2FS41598-017-02114-3

7 January 2021

inferred from DOI database lookup

Random Forests

1 reference

Astrophysics Data System

15 December 2022

https://ui.adsabs.harvard.edu/abs/2001MachL..45....5B/citations

Identifiers

DOI

10.1038/S41598-017-02114-3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28546583%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

PubMed publication ID

28546583

1 reference