(Q52273177)

English

Similarity searching in files of three-dimensional chemical structures: representation and searching of molecular electrostatic potentials using field-graphs.

scientific article published in March 1997

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

Similarity searching in files of three-dimensional chemical structures: representation and searching of molecular electrostatic potentials using field-graphs. (English)

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

author name string

D A Thorner

1

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

P Willett

2

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

P M Wright

3

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

R Taylor

4

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

publication date

1 March 1997

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

11

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

2

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

163-174

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

https://scigraph.springernature.com/pub.10.1023/a:1008034527445

0 references

National Cancer Institute Drug Information System 3D database.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Upperbound procedures for the identification of similar three-dimensional chemical structures

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Substructural analysis. Novel approach to the problem of drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The calculation of molecular similarity: alternative formulas, data manipulation and graphical display

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Similarity screening of molecular data sets

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

MEPSIM: a computational package for analysis and comparison of molecular electrostatic potentials.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

3D database searching in drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

MOPAC: a semiempirical molecular orbital program

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automatic search for maximum similarity between molecular electrostatic potential distributions

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Searching for pharmacophoric patterns in databases of three-dimensional chemical structures

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The discovery of novel auxin transport inhibitors by molecular modeling and three-dimensional pattern analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

OVID and SUPER: Two overlap programs for drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases

1 reference

https://pubmed.ncbi.nlm.nih.gov/9089434

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1023/A:1008034527445

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

DBLP publication ID

journals/jcamd/ThornerWWT97

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

28 April 2018

http://europepmc.org/abstract/MED/9089434

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