Reverse engineering chemical structures from molecular descriptors: how many solutions? (Q48114689)

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Language	Label	Description	Also known as
English	Reverse engineering chemical structures from molecular descriptors: how many solutions?	scientific article

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scholarly article

1 reference

Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

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

1 reference

Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

Jean-Loup Faulon

object named as

Jean-Loup Faulon

1

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author name string

W Michael Brown

2

1 reference

Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

Shawn Martin

3

1 reference

Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

publication date

1 September 2005

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Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

19

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Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

637-650

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Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

9-10

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Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

https://scigraph.springernature.com/pub.10.1007/s10822-005-9007-1

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

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

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inferred from PubMed ID database lookup

Evaluation of quantitative structure-activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor.

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

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The Problem of Overfitting

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

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Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Variability of molecular descriptors in compound databases revealed by Shannon entropy calculations

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

PASS biological activity spectrum predictions in the enhanced open NCI database browser

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural Determination of Paraffin Boiling Points

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https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

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Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions

1 reference

https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifier.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Fragmental approach in QSPR

1 reference

https://pubmed.ncbi.nlm.nih.gov/16267694

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S10822-005-9007-1

1 reference

Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

DBLP publication ID

journals/jcamd/FaulonBM05

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

8 February 2018

http://europepmc.org/abstract/MED/16267694

ResearchGate publication ID

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