ChemMapper protocols

ChemMapper specifications

Information


Unique identifier OMICS_03423
Name ChemMapper
Interface Web user interface
Restrictions to use Academic or non-commercial use
Computer skills Basic
Stability No
Maintained No

Subtool


  • SHAFTS

Maintainer


This tool is not available anymore.

Additional information


ChemMapper implements SHAFTS, a fast 3D similarity method in which the 3D similarity calculation is driven by the hybrid information of molecular shape and chemotype features.

Publications for ChemMapper

ChemMapper IN pipelines

 (5)
2017
PMCID: 5432314
PMID: 28212580
DOI: 10.18632/oncotarget.15351

[…] of the chemical ingredients. the validated targets were extracted from the herbal ingredients’ targets (hit) database [26] (http://lifecenter.sgst.cn/hit/). the predicted targets were obtained using chemmapper [27] (http://lilab.ecust.edu.cn/chemmapper/), an online tool for predicting targets based on 3d similarity., ten herbs (cervus nippon temminck (nt), ginger charcoal (gc), citri reticulatae […]

2017
PMCID: 5432314
PMID: 28212580
DOI: 10.18632/oncotarget.15351

[…] targets were extracted from the herbal ingredients’ targets (hit) database [26] (http://lifecenter.sgst.cn/hit/). the predicted targets were obtained using chemmapper [27] (http://lilab.ecust.edu.cn/chemmapper/), an online tool for predicting targets based on 3d similarity., ten herbs (cervus nippon temminck (nt), ginger charcoal (gc), citri reticulatae pericarpium viride (rp), phytolaccae radix […]

2016
PMCID: 5008533
PMID: 27583849
DOI: 10.1097/MD.0000000000004389

[…] of the chemical ingredients. the validated targets were extracted from the herbal ingredients’ targets database[26] (http://lifecenter.sgst.cn/hit/). the predicted targets were obtained using chemmapper[27] (http://lilab.ecust.edu.cn/chemmapper/), an online tool for predicting targets based on 3d similarity. the scores for the validated targets were defined as 1, and the scores […]

2016
PMCID: 5008533
PMID: 27583849
DOI: 10.1097/MD.0000000000004389

[…] targets were extracted from the herbal ingredients’ targets database[26] (http://lifecenter.sgst.cn/hit/). the predicted targets were obtained using chemmapper[27] (http://lilab.ecust.edu.cn/chemmapper/), an online tool for predicting targets based on 3d similarity. the scores for the validated targets were defined as 1, and the scores for the predicted targets were determined using […]

2016
PMCID: 5008533
PMID: 27583849
DOI: 10.1097/MD.0000000000004389

[…] an online tool for predicting targets based on 3d similarity. the scores for the validated targets were defined as 1, and the scores for the predicted targets were determined using chemmapper and ranged from 0 to 1. the proliferation (or metastasis) function scores of each herb were calculated by adding up the scores of all ingredients acting on all proliferation (or […]

ChemMapper institution(s)
School of Information Science and Engineering, Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science and Technology, Shanghai, China

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