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Cheminformatics
Known as:
Chemo-informatics
, Chemioinformatics
, Cheminformatic
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Cheminformatics (also known as chemoinformatics, chemioinformatics and chemical informatics) is the use of computer and informational techniques…
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50 relations
Apache Taverna
Bioinformatics
CSA Trust
Cambridge Structural Database
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Broader (1)
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
An Improved Machine Learning Approach to Enhance the Predictive Accuracy for Screening Potential Active USP1/UAF1 Inhibitors
S. Hassan
,
A. H. Osman
2017
Corpus ID: 32841880
DNA repair mechanism is an important mechanism employed by the cancerous cell to survive the DNA damages induced during…
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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…
I. Y. Torshin
,
K. V. Rudakov
Pattern Recognition and Image Analysis
2014
Corpus ID: 17226993
This paper presents a novel formalism for the application of the combinatorial theory of solvability to graph-theoretical…
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2013
2013
Methodologies and Applications for Chemoinformatics and Chemical Engineering
A. K. Haghi
2013
Corpus ID: 100248293
A.K.Haghi holds a BSc in urban and environmental engineering from University of North Carolina (USA), a MSc in mechanical…
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2004
2004
Molecular Geometry as a Source of chemical Information. Part I: How H-Bonding Modifies Molecular Structure in the Vicinity of Hydrogen Donating Group. The Case of Phenol Derivatives Interacting with…
H. Szatyłowicz
,
T. Krygowski
2004
Corpus ID: 94409346
Analysis of geometrical patterns of 635 variously substituted phenols in H-bonding complexes with bases revealed that C 1 O, C 1…
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2003
2003
The molecular feature miner MolFea
C. Helma
,
Stefan Kramer
,
L. D. Raedt
2003
Corpus ID: 10877215
Inductive databases are a new generation of databases, that are capable of dealing with data but also with patterns or…
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2000
2000
Textual and chemical information processing: different domains but similar algorithms
P. Willett
Information Research
2000
Corpus ID: 24554430
This paper discusses the extent to which algorithms developed for the processing of textual databases are also applicable to the…
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1996
1996
Multi‐rank nuclear magnetic resonance studies of half‐integer quadrupolar nuclei in solids by three‐dimensional dynamic‐angle correlation spectroscopy
A. Medek
,
J. Sachleben
,
P. Beverwyk
,
L. Frydman
1996
Corpus ID: 36851231
The present work introduces a new three‐dimensional nuclear magnetic resonance (3D NMR) experiment for the analysis of half…
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Highly Cited
1986
Highly Cited
1986
Implementation of nonhierarchic cluster analysis methods in chemical information structure search
P. Willett
,
V. Winterman
,
D. Bawden
1986
Corpus ID: 121378265
Utilisation des techniques d'analyse par amas avec des fichiers lisibles en machine de composes chimiques caracterises par des…
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Highly Cited
1983
Highly Cited
1983
DARC substructure search system: a new approach to chemical information
R. Attias
Journal of chemical information and computer…
1983
Corpus ID: 40751811
Highly Cited
1980
Highly Cited
1980
Generalization of the Graph Center Concept, and Derived Topological Centric Indexes
D. Bonchev
,
A. Balaban
,
O. Mekenyan
Journal of chemical information and computer…
1980
Corpus ID: 3277479
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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