(Q80784392)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15446830%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

title

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

1 reference

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3 January 2020

3

Robert C Glen

1 reference

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3 January 2020

2

Hamse Y Mussa

1 reference

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3 January 2020

4

Stephan Reiling

1 reference

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3 January 2020

author name string

Andreas Bender

series ordinal

1

1 reference

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3 January 2020

publication date

1 September 2004

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15446830%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Computer Sciences

3 January 2020

published in

0 references

volume

44

1 reference

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3 January 2020

issue

5

1 reference

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3 January 2020

page(s)

1708-1718

1 reference

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Feasibility of a high-flux anticancer drug screen using a diverse panel of cultured human tumor cell lines

3 January 2020

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Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules

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Feature trees: a new molecular similarity measure based on tree matching

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

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A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES.

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Novel methods for the prediction of logP, pK(a), and logD.

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Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

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Uniform-length molecular descriptors for quantitative structureâ property relationships (QSPR) and quantitative structureâ activity relationships (QSAR): classification studies and similarity searching

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Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique

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Validation of the general purpose Tripos 5.2 force field

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FLEXS: a method for fast flexible ligand superposition.

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Do structurally similar molecules have similar biological activity?

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The hidden component of size in two-dimensional fragment descriptors: side effects on sampling in bioactive libraries

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The Metabolic Fate of Thiabendazole in Sheep1

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

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Recent advances on the role of topological indices in drug discovery research.

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Analysis and display of the size dependence of chemical similarity coefficients

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Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks

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GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors.

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Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

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A Modification of the Jaccard–Tanimoto Similarity Index for Diverse Selection of Chemical Compounds Using Binary Strings

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Identifiers

DOI

10.1021/CI0498719

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15446830%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/BenderMGR04a

3 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference