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Cheminformatics

Known as: Chemo-informatics, Chemioinformatics, Cheminformatic 
Cheminformatics (also known as chemoinformatics, chemioinformatics and chemical informatics) is the use of computer and informational techniques… 
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Related topics

Related topics

50 relations
Apache TavernaBioinformaticsCSA TrustCambridge Structural Database

Broader (1)

Computational chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
On the application of the combinatorial theory of solvability to the analysis of chemographs: Part 2. Local completeness of invariants of chemographs in view of the combinatorial theory of…
This paper presents a novel formalism for the application of the combinatorial theory of solvability to graph-theoretical… 
2010
2010
AR Chemistry : Building up Augmented Reality for Learning Chemical Experiment
Learning is changing behavior and ideas by stor- ing experiences and acquiring knowledge. We focus atten- tion on Chemistry in… 
2009
2009
ChemAxiom – An Ontological Framework for Chemistry in Science
We present ChemAxiom as the first ontological framework for chemistry in science. ChemAxiom enables discourse about chemical… 
2008
2008
Chapter 6:Probabilistic Approaches in Activity Prediction
Biological activity has a probabilistic nature, and the most appropriate approaches in activity prediction are based on the… 
2007
2007
A Novel Method Based on Voltammetry for the Qualitative Analysis of Water
This paper deals with the use of voltammetric techniques for the qualitative analysis of water, where we focus on the signal… 
Review
2002
Review
2002
Fragmental Methods in the Design of New Compounds. Applications of The Advanced Algorithm Builder
Fragmental methods (FMs) have great potential in many practical areas related to the design of new lead compounds. Advanced… 
1996
1996
Multi‐rank nuclear magnetic resonance studies of half‐integer quadrupolar nuclei in solids by three‐dimensional dynamic‐angle correlation spectroscopy
The present work introduces a new three‐dimensional nuclear magnetic resonance (3D NMR) experiment for the analysis of half… 
Highly Cited
1986
Highly Cited
1986
Implementation of nonhierarchic cluster analysis methods in chemical information structure search
Utilisation des techniques d'analyse par amas avec des fichiers lisibles en machine de composes chimiques caracterises par des… 
Highly Cited
1983
Highly Cited
1983
DARC substructure search system: a new approach to chemical information
Highly Cited
1980
Highly Cited
1980
Generalization of the Graph Center Concept, and Derived Topological Centric Indexes
6 z The concept of topological center is generalized for any connected acyclic or cyclic graph on the basis of the topological… 
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