(Q50596276)

16 March 2018

title

Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure. (English)

1 reference

16 March 2018

maximum common substructure

main subject

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3

Jürgen Bajorath

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16 March 2018

2

Martin Vogt

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16 March 2018

author name string

Ryo Kunimoto

series ordinal

1

1 reference

16 March 2018

publication date

11 August 2016

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16 March 2018

Journal of Computer - Aided Molecular Design

published in

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16 March 2018

volume

30

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16 March 2018

issue

7

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16 March 2018

page(s)

523-531

1 reference

16 March 2018

https://scigraph.springernature.com/pub.10.1007/s10822-016-9935-y

exact match

0 references

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

The Calculation of Molecular Structural Similarity: Principles and Practice.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Scaffold hopping using two-dimensional fingerprints: true potential, black magic, or a hopeless endeavor? Guidelines for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Effectiveness of 2D fingerprints for scaffold hopping

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Structure Modification in Chemical Databases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Chemical space networks: a powerful new paradigm for the description of chemical space.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

21 January 2018

Features of similarity

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Maximum common substructure-based data fusion in similarity searching

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Design of chemical space networks on the basis of Tversky similarity

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Extended-connectivity fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

ChEMBL: a large-scale bioactivity database for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Apparent asymmetry in fingerprint similarity searching is a direct consequence of differences in bit densities and molecular size

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Balancing the influence of molecular complexity on fingerprint similarity searching.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Advanced fingerprint methods for similarity searching: balancing molecular complexity effects

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-016-9935-Y

Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27515428

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-016-9935-Y

1 reference

16 March 2018

journals/jcamd/KunimotoVB16

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

16 March 2018