Sachem: a chemical cartridge for high-performance substructure search. (Q55016200): Difference between revisions

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@@ Property / author name string @@
-Jiří Vondrášek
@@ Property / author name string: Jiří Vondrášek / rank @@
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@@ Property / author name string: Jiří Vondrášek / qualifier @@
-series ordinal: 2
@@ Property / author name string: Jiří Vondrášek / reference @@
-stated in: Europe PubMed Central
PMC publication ID: 5966370
retrieved: 15 June 2018Timestamp +2018-06-15T00:00:00Z
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reference URL: http://europepmc.org/abstract/PMC/5966370
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++2018-06-15T00:00:00Z
-Timezone
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Revision as of 05:30, 6 September 2019

scientific article

Sachem: a chemical cartridge for high-performance substructure search

Language	Label	Description	Also known as
English	Sachem: a chemical cartridge for high-performance substructure search.	scientific article	Sachem: a chemical cartridge for high-performance substructure search

Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

Sachem: a chemical cartridge for high-performance substructure search. (English)

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

3

object named as

Jakub Galgonek

0 references

Jiří Vondrášek

2

object named as

Jiří Vondrášek

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

author name string

Miroslav Kratochvíl

1

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

Jakub Galgonek

3

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

language of work or name

0 references

publication date

23 May 2018

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

Journal of Cheminformatics

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

10

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

1

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

27

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

Information Retrieval and Text Mining Technologies for Chemistry.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Guided Iterative Substructure Search (GI-SSS) - A New Trick for an Old Dog.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Comparing structural fingerprints using a literature-based similarity benchmark

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Recent progresses in the exploration of machine learning methods as in-silico ADME prediction tools.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Machine-learning approaches in drug discovery: methods and applications

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Molecular fingerprint similarity search in virtual screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Mining collections of compounds with Screening Assistant 2

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Building an R&D chemical registration system

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Efficient substructure searching of large chemical libraries: the ABCD chemical cartridge

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Open Babel: An open chemical toolbox

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Tautomerism in large databases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Extended-connectivity fingerprints

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

OrChem - An open source chemistry search engine for Oracle(R)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

ChEBI: a database and ontology for chemical entities of biological interest

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Why do we need so many chemical similarity search methods?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

16 June 2018

Power Keys: A Novel Class of Topological Descriptors Based on Exhaustive Subgraph Enumeration and their Application in Substructure Searching

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

13 August 2018

Accelerating Chemical Database Searching Using Graphics Processing Units

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5966370

13 August 2018

Identifiers

10.1186/S13321-018-0282-Y

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

15 June 2018

http://europepmc.org/abstract/PMC/5966370

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