(Q34820751)

English

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions

scientific article

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions (English)

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

1

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

object named as

Reiner Dieden

6

0 references

Sergii Novotarskyi

2

object named as

Sergii Novotarskyi

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

3

object named as

Iurii Sushko

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

author name string

Vladimir Ivanov

4

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Alexander E Petrenko

5

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Florence Lebon

7

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Benoit Mathieu

8

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

publication date

15 July 2013

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

53

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

8

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

1990-2000

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

The perspectives of computational chemistry modeling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 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=3760295

8 July 2018

Interactive exploration of chemical space with Scaffold Hunter

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

Of molecules and humans

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

Can we estimate the accuracy of ADME-Tox predictions?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

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=3760295

8 July 2018

Estimation of aqueous solubility of organic compounds with QSPR approach.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

8 July 2018

A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

ESOL: estimating aqueous solubility directly from molecular structure.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

In silico estimation of DMSO solubility of organic compounds for bioscreening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

Neural network studies. 4. Introduction to associative neural networks.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3760295

26 October 2018

Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

1 reference

https://pubmed.ncbi.nlm.nih.gov/23855787

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Functionality pattern matching as an efficient complementary structure/reaction search tool: an open-source approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/23855787

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Application of spectrophores™ to map vendor chemical space using self-organising maps

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-3-S1-P7

2 January 2022

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

uses method in cited work

1 reference

CiteULike CiTO annotations

2022

Identifiers

10.1021/CI400213D

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

DBLP publication ID

journals/jcisd/TetkoNSIPDLM13

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q34820751&oldid=2031346418"