(Q33925477)

30 July 2017

title

Indexing molecules with chemical graph identifiers (English)

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Elisabet Gregori-Puigjané

30 July 2017

Jordi Mestres

3

0 references

series ordinal

1

object named as

Elisabet Gregori-Puigjané

1 reference

30 July 2017

Rut Garriga-Sust

2

1 reference

30 July 2017

publication date

6 June 2011

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Journal of Computational Chemistry

30 July 2017

published in

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30 July 2017

volume

32

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30 July 2017

issue

12

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30 July 2017

page(s)

2638-2646

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The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service

30 July 2017

cites work

1 reference

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

21 January 2018

1 reference

A new approach to finding natural chemical structure classes

21 January 2018

1 reference

Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries

21 January 2018

1 reference

Chemical compound navigator: a web-based chem-BLAST, chemical taxonomy-based search engine for browsing compounds

21 January 2018

1 reference

Exploring the chemogenomic knowledge space with annotated chemical libraries

21 January 2018

1 reference

HierS: hierarchical scaffold clustering using topological chemical graphs

21 January 2018

1 reference

Chemical and biological profiling of an annotated compound library directed to the nuclear receptor family

21 January 2018

1 reference

Assessing the scaffold diversity of screening libraries

21 January 2018

1 reference

Hierarchical strategy for identifying active chemotype classes in compound databases

21 January 2018

1 reference

The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification

21 January 2018

1 reference

Global mapping of pharmacological space

21 January 2018

1 reference

The Connectivity Map: using gene-expression signatures to connect small molecules, genes, and disease

21 January 2018

1 reference

A Method of Structure-Activity Correlation Using Wiswesser Line Notation

21 January 2018

1 reference

How the WLN began in 1949 and how it might be in 1999

21 January 2018

1 reference

Chemical registries--in the fourth decade of service.

21 January 2018

1 reference

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

21 January 2018

1 reference

Molecular identification number for substructure searches

21 January 2018

1 reference

MOLGEN-CID--A canonizer for molecules and graphs accessible through the Internet

21 January 2018

1 reference

Descriptor collision and confusion: toward the design of descriptors to mask chemical structures.

21 January 2018

1 reference

Algorithm for naming molecular equivalence classes represented by labeled pseudographs.

21 January 2018

1 reference

Comparison of the NCI open database with seven large chemical structural databases.

21 January 2018

1 reference

ZINC--a free database of commercially available compounds for virtual screening

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.21843

1 reference

journals/jcc/Gregori-PuigjaneGM11

30 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference