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Topology (chemistry)

In chemistry, topology provides a convenient way of describing and predicting the molecular structure within the constraints of three-dimensional (3… 
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Related topics

Related topics

9 relations
Chemical graph theoryChemical spaceCircuit topologyDiscrete mathematics

Broader (2)

CheminformaticsMathematical chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
Developing structure-property relationships in branched wormlike micelles via advanced rheological and neutron scattering techniques
The molecular design of soft materials with optimal flow properties is highly desired in applications ranging from polymer… 
2016
2016
Extended Topological Persistence and Contact Arrangements in Folded Linear Molecules
Structure plays a pivotal role in determining the functional properties of self-interacting linear biomolecular chains, for… 
2016
2016
Examination Of The Solution Behaviors Of The Giant Inorganic-Organic Amphiphilic Hybrids
2014
2014
Electron Transfer Properties of Alternant Hydrocarbons in Terms of Inverse Adjacency Matrices of Molecular Graphs
The study addresses electron transfer (ET) properties of systems of the type D-AH-A, where D and A are external electron-donating… 
2013
2013
Application of Molecular Topology to the Prediction of the Reaction Yield and Anticancer Activity of Imidazole and Guanidine Derivatives
In this study molecular topology based QSAR has been applied to predict the reaction yield and anticancer activity of 18… 
2012
2012
Aplicação de descritores topológicos e modelos estatísticos para o descobrimento de potenciais antagonistas da integrina alfa4 beta1
Autoimmune diseases cover a large variety of inflammatory disorders like Rheumatoid Arthritis, Asthma, Ulcerative Colitis, Crohn… 
2000
2000
New Anti-Neoplastics Obtained by a Molecular Connectivity Method
Molecular Connectivity is a method, which allows to discriminate different pharmacological activities on the basics of numeric… 
1995
1995
The application of molecular topology to drug design — topological descriptions of molecular shape
Molecular similarity is becoming an increasingly important topic in drug design. Methods for determining similarity are required… 
1994
1994
Structure and properties of nonclassical polymers X. Heteroatomic polymers with degenerate half-filled band
It is shown that the group of π-conjugated, nonclassical (non-Kekulé) homonuclear, alternative organic polyradicals and polymers… 
1984
1984
Studies on the quantitative structure activity relationships QSAR of some drugs and other bioactive molecules with special reference to the role of molecular topology utilizing new information…
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