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ZENODO
Dataset . 2016
License: CC 0
Data sources: Datacite
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Classification Of Matching Molecular Series On The Basis Of Sar Phenotypes And Structural Relationships

Research datakeyboard_double_arrow_right Dataset 06 Jan 2016Publisher:Zenodo
Authors: Ghosh, Adhideb; Dimova, Dilyana; Bajorath, Jürgen;

doi: 10.5281/zenodo.44379

Classification Of Matching Molecular Series On The Basis Of Sar Phenotypes And Structural Relationships

Abstract

A database comprising a total of 13,236 pairs of MMS with different SAR characteristics is provided. For each pair the corresponding MMS-cores are provided as SMILES. In addition, for each MMS-core the number of compounds and the SAR phenotype are given. ChEMBL target IDs (CHEMBLID_Target) designate target sets from which the MMS pairs originate.

Keywords

Substructure relationships, Systematic analysis, Structure-activity relationships, Matched molecular pairs, Core, Matching molecular series, SAR

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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