(Q73667215)

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Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors

scientific article published on 01 March 2000

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors (English)

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

author name string

Schuffenhauer A

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

Gillet VJ

2

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

Willett P

3

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Europe PubMed Central

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5 November 2019

publication date

1 March 2000

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5 November 2019

Journal of Chemical Information and Computer Sciences

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40

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Europe PubMed Central

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5 November 2019

2

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5 November 2019

295-307

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PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

The development of versions 3 and 4 of the Cambridge Structural Database System

1 reference

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Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion angles

2 references

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Chemical Similarity Searching

2 references

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Similarity searching on CAS Registry substances. 1. Global molecular property and generic atom triangle geometric searching

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New method for rapid characterization of molecular shapes: applications in drug design

2 references

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A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors

1 reference

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Isosterism and bioisosterism in drug design

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Evolutionary algorithms in computer-aided molecular design

1 reference

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A fast and efficient method for 2D and 3D molecular shape description

1 reference

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

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Identification, synthesis, and characterization of a unique class of N-methyl-D-aspartate antagonists. The 6,11-ethanobenzo[b]quinolizinium cation.

1 reference

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Glycine potentiates the NMDA response in cultured mouse brain neurons

1 reference

7 December 2024

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MOPAC: a semiempirical molecular orbital program

1 reference

7 December 2024

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Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

1 reference

7 December 2024

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British higher education in the 1990s

1 reference

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Identifiers

10.1021/CI990263G

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

DBLP publication ID

journals/jcisd/SchuffenhauerGW00

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761131%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

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