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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

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Apache TavernaBioinformaticsCSA TrustCambridge Structural Database

Broader (1)

Computational chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
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… 
2008
2008
QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors
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… 
2006
2006
3-Way and 3-block PLS regressions in consumer preference analysis
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
1981
1981
The role of chemoreception in the iguanid lizard Sceloporus jarrovi
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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