(Q27998702)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

title

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

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

author name string

Forbes J Burkowski

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

language of work or name

English

0 references

publication date

28 April 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

Journal of Cheminformatics

18 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

volume

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

issue

1

0 references

page(s)

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 2.0 Generic

18 January 2020

copyright license

start time

28 April 2009

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

cites work

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An Eulerian path approach to DNA fragment assembly

20 March 2017

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

20 March 2017

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The Pharmacophore Kernel for Virtual Screening with Support Vector Machines

20 March 2017

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One- to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties.

7 April 2017

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Measuring CAMD technique performance. 2. How "druglike" are drugs? Implications of Random test set selection exemplified using druglikeness classification models

29 September 2017

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

29 September 2017

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Recent advances in inducible cyclooxygenase (COX-2) inhibition

29 September 2017

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Sharing chemical information without sharing chemical structure

29 September 2017

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Predicting multiple binding modes using a kernel method based on a vector space model molecular descriptor.

2 June 2018

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An introduction to kernel-based learning algorithms.

27 November 2018

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Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.

27 November 2018

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Reverse engineering chemical structures from molecular descriptors: how many solutions?

27 November 2018

1 reference

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Graph kernels for molecular structure-activity relationship analysis with support vector machines.

27 November 2018

1 reference

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Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.

27 November 2018

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The pre-image problem in kernel methods.

27 November 2018

1 reference

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A comparison of methods for modeling quantitative structure-activity relationships

27 November 2018

1 reference

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The signature molecular descriptor. 4. Canonizing molecules using extended valence sequences.

27 November 2018

1 reference

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The signature molecular descriptor. 2. Enumerating molecules from their extended valence sequences.

27 November 2018

1 reference

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The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies

27 November 2018

1 reference

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Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

27 November 2018

1 reference

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27 November 2018

1 reference

12 December 2020

A novel workflow for the inverse QSPR problem using multiobjective optimization

1 reference

12 December 2020

Selective cyclooxygenase inhibitors: novel 1,2-diarylcyclopentenes are potent and orally active COX-2 inhibitors

1 reference

12 December 2020

Measuring CAMD technique performance: a virtual screening case study in the design of validation experiments

1 reference

12 December 2020

A general method for exploiting QSAR models in lead optimization

1 reference

12 December 2020

Handbook of Molecular Descriptors

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-1-4

Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-1-4

2 January 2022

Identifiers

DOI

10.1186/1758-2946-1-4

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

journals/jcheminf/WongB09

18 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-1-4

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20142987%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

PubMed publication ID

20142987

2 references