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Molecular Informatics

Known as: QSAR & Combinatorial Science 
Molecular Informatics is a peer-reviewed scientific journal published by Wiley VCH. It covers research in cheminformatics, quantitative structure… 
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Related topics

Related topics

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Broader (1)

Cheminformatics
Combinatorial chemistryComputational chemistryJournal Citation ReportsQuantitative structure–activity relationship

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
Target Fishing: A Single-Label or Multi-Label Problem?
According to Cobanoglu et al and Murphy, it is now widely acknowledged that the single target paradigm (one protein or target… 
2012
2012
Solubilization of Pyrimethamine, Antibacterial Drug, by Low-Molecular-Weight Succinoglycan Dimers Isolated from Shinorhizobium meliloti
The use of pyrimethamine as antibacterial drug is limited by the poor solubility. To enhance its solubility, we prepared… 
2010
2010
Anti-Wrinkle Effects of Korean Rice Wine Cake on Human Fibroblast
Skin aging is related to genetic and environmental factors (e.g ., gene mutation and UV radiation re- spectively). To develop a… 
2008
2008
Plastic Flow and Grain Refinement under Simple Shear-Based Severe Plastic Deformation Processing
In the present work, effects of loading scheme and strain reversal on structure evolution are studied by using high pressure… 
2006
2006
Amodiaquinium dichloride dihydrate from laboratory powder diffraction data
The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxy­benzyl}dimethylammonium dichloride dihydrate… 
2006
2006
The IUPAC international chemical identifier : InChl-A new standard for molecular informatics
The emergence of computerized information-handling systems has had an enormous impact on chemistry and chemists. The ease with… 
2005
2005
Binding Geometry of Inclusion Complex as a Determinant Factor for Aqueous Solubility of the Flavonoid/β-Cyclodextrin Complexes Based on Molecular Dynamics Simulations
A computational study based on molecular dynamics (MD) simulations was performed in order to explain the difference in aqueous… 
2005
2005
Complexity and chirality indices for molecular informatics::differential geometry approach
Novel molecular complexity measures are designed based on the quantum molecular kinematics. The Hamiltonian matrix constructed in… 
2003
2003
AMAZE : A DATABASE OF MOLECULAR FUNCTION , INTERACTIONS AND BIOCHEMICAL PROCESSES
The aMAZE database (http://www.amaze.ulb.ac.be) manages information on the molecular functions of genes and proteins, their… 
2002
2002
Developing tools and standards in molecular informatics
Let's put a 'toe in the water'of molecular informatics. There are 50 million or so accessible chemical substances, around 6… 
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