(Q49412381)

20 February 2018

title

ChemTS: an efficient python library for de novo molecular generation. (English)

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20 February 2018

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Xiufeng Yang

1

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20 February 2018

Jinzhe Zhang

2

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20 February 2018

Kazuki Yoshizoe

3

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20 February 2018

Kei Terayama

4

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20 February 2018

Koji Tsuda

5

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20 February 2018

publication date

24 November 2017

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20 February 2018

Science and Technology of Advanced Materials

published in

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20 February 2018

volume

18

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20 February 2018

issue

1

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20 February 2018

page(s)

972-976

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20 February 2018

Creative Commons Attribution 4.0 International

copyright license

start time

24 November 2017

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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April 2022 Public Data File from Crossref

describes a project that uses

Python

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based on heuristic

inferred from title

maintained by WikiProject

WikiProject Software

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cites work

MDTS: automatic complex materials design using Monte Carlo tree search

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Bayesian molecular design with a chemical language model.

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Mastering the game of Go with deep neural networks and tree search

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Luminescent cation sensors: from host-guest chemistry, supramolecular chemistry to reaction-based mechanisms

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

ZINC: a free tool to discover chemistry for biology

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

22 May 2018

Organic ferroelectrics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

22 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Purely organic electroluminescent material realizing 100% conversion from electricity to light.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

Hydrogen-bond-dynamics-based switching of conductivity and magnetism: a phase transition caused by deuterium and electron transfer in a hydrogen-bonded purely organic conductor crystal.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5801530

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

14 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1080%2F14686996.2017.1401424

A Survey of Monte Carlo Tree Search Methods

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1080%2F14686996.2017.1401424

Pillar-beam structures prevent layered cathode materials from destructive phase transitions

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1080%2F14686996.2017.1401424

10.1080/14686996.2017.1401424

21 January 2018

Identifiers

DOI

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20 February 2018

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20 February 2018

PubMed publication ID

29435094

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20 February 2018