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Databases, Molecular

Known as: Database, Molecular, Molecular Database, Molecular Databases 
Databases devoted to knowledge about specific molecules.
National Institutes of Health

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Databases, Chemical

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2011
2011
Comparison of automated and human assignment of MeSH terms on publicly-available molecular datasets
Review
2006
Review
2006
Allergen sequence databases.
A number of specialized databases have been developed to facilitate studies of human allergens. These include molecular databases… 
2005
2005
Medicinal Chemistry and Molecular Modeling: An Integration To Teach Drug Structure-Activity Relationship and the Molecular Basis of Drug Action
Molecular modeling is described as a tool for understanding fundamental concepts of drug structure–activity relationships in a… 
2001
2001
Unusual organization of a developmentally regulated mitochondrial RNA polymerase (TBMTRNAP) gene in Trypanosoma brucei.
Review
2000
Review
2000
In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes
In this article, we review the use of in vitro and in silico affinity fingerprints as novel descriptors for similarity searches… 
1999
1999
Class II MHC quantitative binding motifs derived from a large molecular database with a versatile iterative stepwise discriminant analysis meta- algorithm
MOTIVATION The identification of T-cell epitopes can be crucial for vaccine development. An epitope is a peptide segment that… 
1998
1998
CoMFA-based prediction of agonist affinities at recombinant D1 vs D2 dopamine receptors.
We have previously shown that using agonist affinity at recombinant receptors selectively expressed in clonal cells as the… 
1997
1997
An approach to discriminating 25 commercial chiral stationary phases from structural data sets extracted from a molecular database.
We have developed a comprehensive molecular database (CHIRBASE) which contains today the results of 35,000 chiral separations by… 
Highly Cited
1994
Highly Cited
1994
Quantitative structure-activity relationships/comparative molecular field analysis (QSAR/CoMFA) for receptor-binding properties of halogenated estradiol derivatives.
The 3-D quantitative structure-activity relationships/comparative molecular field analysis (QSAR/CoMFA) paradigm, which considers… 
1993
1993
CHIRBASE, a graphical molecular database on the separation of enantiomers by liquid-, supercritical fluid-, and gas chromatography.
In order to cope with the increasing number of publications on the separation of enantiomers by chromatography on a chiral… 
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