(Q48127458)

18 June 2018

title

Application of Generative Autoencoder in de Novo Molecular Design. (English)

1 reference

18 June 2018

main subject

molecular design

0 references

chemical graph generator

1 reference

1 reference

Thomas Blaschke

1

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Ola Engkvist

series ordinal

3

object named as

Ola Engkvist

1 reference

18 June 2018

5

Hongming Chen

1 reference

18 June 2018

4

Jürgen Bajorath

1 reference

18 June 2018

Marcus Olivecrona

2

1 reference

18 June 2018

language of work or name

English

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publication date

13 December 2017

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18 June 2018

published in

Molecular Informatics

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18 June 2018

volume

37

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18 June 2018

issue

1-2

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18 June 2018

Exploring differential evolution for inverse QSAR analysis

page(s)

1700123

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cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in Silico

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Chemical Space Mimicry for Drug Discovery

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x).

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Deep neural nets as a method for quantitative structure-activity relationships

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Quantifying the chemical beauty of drugs.

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

ChEMBL: a large-scale bioactivity database for drug discovery

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Extended-connectivity fingerprints

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

The signature molecular descriptor. 3. Inverse-quantitative structure-activity relationship of ICAM-1 inhibitory peptides

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

18 June 2018

Long short-term memory

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Neural networks: Accurate nonlinear QSAR model for HEPT derivatives.

18 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5836887

Molecular de-novo design through deep reinforcement learning

14 August 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700123

A constructive approach for discovering new drug leads: Using a kernel methodology for the inverse-QSAR problem

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700123

Principal component analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700123

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201700123

A Learning Algorithm for Continually Running Fully Recurrent Neural Networks

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201700123

8 April 2023

Identifiers

DOI

10.1002/MINF.201700123

1 reference

18 June 2018

1 reference

1 reference

18 June 2018

PubMed ID

29235269

1 reference

18 June 2018