(Q39187331)

9 September 2017

Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout (English)

1 reference

artificial neural network

9 September 2017

0 references

quantitative structure-activity relationship

1 reference

2

1 reference

9 September 2017

Jeffrey Mendenhall

1

0 references

publication date

1 February 2016

1 reference

Journal of Computer - Aided Molecular Design

9 September 2017

1 reference

9 September 2017

30

1 reference

9 September 2017

2

1 reference

9 September 2017

177-189

1 reference

PMC publication ID

4798928

describes a project that uses

9 September 2017

artificial neural network

1 reference

based on heuristic

inferred from title

cites work

Computational methods in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

QSAR modeling: where have you been? Where are you going to?

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Predicting CYP2C19 catalytic parameters for enantioselective oxidations using artificial neural networks and a chirality code

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR.

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Recommendations for evaluation of computational methods

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

The general inefficiency of batch training for gradient descent learning

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

A hybrid approach for addressing ring flexibility in 3D database searching

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Quantitative structure-activity relationship study of P2X7 receptor inhibitors using combination of principal component analysis and artificial intelligence methods

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Data transformation practices in biomedical sciences

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Convergence analysis of online gradient method for BP neural networks

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Rapid context-dependent ligand desolvation in molecular docking

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Fast assignment of accurate partial atomic charges: an electronegativity equalization method that accounts for alternate resonance forms.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

Novel methods for the prediction of logP, pK(a), and logD.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4798928

New types of deep neural network learning for speech recognition and related applications: an overview

21 August 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9895-2

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9895-2

Learning representations by back-propagating errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9895-2

Molecular Descriptors for Chemoinformatics

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9895-2

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

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26830599

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-016-9895-2

1 reference

journals/jcamd/MendenhallM16

9 September 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PMC publication ID

4798928

9 September 2017

PubMed publication ID

26830599

1 reference

PMC publication ID

4798928