(Q36303825)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

title

Bayesian molecular design with a chemical language model (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

0 references

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

author name string

Hisaki Ikebata

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

Kenta Hongo

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

Tetsu Isomura

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

Ryo Maezono

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

language of work or name

1 reference

9 March 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

5 April 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

volume

31

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

issue

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

page(s)

379-391

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

Machine Learning Strategy for Accelerated Design of Polymer Dielectrics.

5 April 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

PubChem Substance and Compound databases

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Comparison and enumeration of chemical graphs

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

De novo design of drug-like molecules by a fragment-based molecular evolutionary approach

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Open Babel: An open chemical toolbox

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Fragment-based de novo ligand design by multiobjective evolutionary optimization

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Graph kernels for chemical informatics

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Computer-based de novo design of drug-like molecules

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Exhaustive Structure Generation for Inverse-QSPR/QSAR.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Atom environment kernels on molecules.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

De novo drug design using multiobjective evolutionary graphs.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Flux (1): a virtual synthesis scheme for fragment-based de novo design.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

The molecule evoluator. An interactive evolutionary algorithm for the design of drug-like molecules.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

A genetic algorithm for the automated generation of small organic molecules: drug design using an evolutionary algorithm.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5393296

Grand challenges for cheminformatics

22 September 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-0008-Z

A genetic algorithm tutorial

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-0008-Z

Sequential Monte Carlo samplers

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-0008-Z

Chemical Informatics Functionality in R

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-0008-Z

General atomic and molecular electronic structure system

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-0008-Z

Advances in electronic structure theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-0008-Z

A novel workflow for the inverse QSPR problem using multiobjective optimization

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28281211

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

PhDD: a new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28281211

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28281211

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-016-0008-Z

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28281211%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/IkebataHIMY17

5 April 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:28281211%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

PubMed publication ID

28281211

1 reference