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Research Studies Press Ltd subspace methods of pattern recognition
Subspace Methods Of Pattern Recognition, supplied by Research Studies Press Ltd, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/pattern+recognition+and+subspace+method/similarity+and+clustering+in+chemical+information+systems/us07346192-62-15-20
Average 90 stars, based on 1 article reviews
subspace methods of pattern recognition - by Bioz Stars, 2026-10
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Article Title: Comparison of 2D fingerprint types and hierarchy level selection methods for structural grouping using Ward's clustering
Article Snippet: Four different two-dimensional fingerprint types (MACCS, Unity, BCI, and Daylight) and nine methods of selecting optimal cluster levels from the output of a hierarchical clustering algorithm were evaluated for their ability to select clusters that represent chemical series present in some typical examples of chemical compound data sets.. The methods were evaluated using a Ward’s clustering algorithm on subsets of the publicly available National Cancer Institute HIV data set, as well as with compounds from our corporate data set.. We make a number of observations and recommendations about the choice of fingerprint type and cluster level selection methods for use in this type of clustering

Article Title: Counting Clusters Using R-NN Curves
Article Snippet: REFERENCES AND NOTES (1) Willett, P. Similarity and Clustering Chemical Information Systems; Research Studies Press Ltd.: Letchworth, U.K., 1987. (2) Kaufman, L.; Rousseeuw, P. Finding Groups in Data: An Introduction to Cluster Analysis, 2nd ed.

Article Title: Quantitative structure–property relationships prediction of some physico-chemical properties of glycerol based solvents
Article Snippet: Quantitative structure–properties relationships (QSPR) models have been developed for three characteristic properties of a series of 62 new glycerol derivatives, relevant to solvent classification and substitution uses.. Using structural descriptor variables, three equations have been found using multiple linear regression analysis, which can be applied for in silico prediction of physico-chemical properties, allowing a faster selection of target solvents for a given application.

Article Title: Mathematical programming assisted drug design for nonclassical antifolates.
Article Snippet: A concept from optimization theory, specifically, mathematical programming, is proposed for designing drugs with desired properties.. The mathematical programming formulation is solved to obtain the optimal descriptor values, which are employed in the Cerius2 modeling environment to infer the optimal lead candidates, in the sense that they exhibit both high selectivity and activity while ensuring low toxicity.. It has been observed that unique substituent groups and their molecular conformations are responsible for attaining the goal of simultaneous high selectivity and activity.

Article Title: Development of quantitative structure-activity relationships and classification models for anticonvulsant activity of hydantoin analogues.
Article Snippet: Classification and QSAR analysis was performed on a large set of hydantoin derivatives with measured anticonvulsant activity in mice and rats.. The classification set comprised 287 hydantoins having maximal electroshock (MES) activity expressed in qualitative form.. A subset of 94 hydantoins with MES ED50 values was used for QSAR analysis.

Article Title: Stigmata: an algorithm to determine structural commonalities in diverse datasets.
Article Snippet: An algorithm, Stigmata, is described, which extracts structural commonalities from chemical datasets.. It is discussed using several illustrative examples and a pharmaceutically interesting set of dopamine D2 agonists.. The commonalities are determined using two-dimensional topological chemical descriptions and are incorporated into the key feature of the algorithm, the modal fingerprint.

Activity Assay:

Article Title: Sequential superparamagnetic clustering for unbiased classification of high-dimensional chemical data.
Article Snippet: For the clustering of chemical structures that are described by the Similog, ISIS count, and ISIS binary fingerprints, we propose a sequential superparamagnetic clustering approach.. To appropriately handle nonbinary feature keys, we introduce an extension of the binary Tanimoto similarity measure.. In our applications, data sets composed of structures from seven chemically distinct compound classes are evaluated and correctly clustered.

Selection:

Article Title: Sequential superparamagnetic clustering for unbiased classification of high-dimensional chemical data.
Article Snippet: For the clustering of chemical structures that are described by the Similog, ISIS count, and ISIS binary fingerprints, we propose a sequential superparamagnetic clustering approach.. To appropriately handle nonbinary feature keys, we introduce an extension of the binary Tanimoto similarity measure.. In our applications, data sets composed of structures from seven chemically distinct compound classes are evaluated and correctly clustered.



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Research Studies Press Ltd subspace methods of pattern recognition
Subspace Methods Of Pattern Recognition, supplied by Research Studies Press Ltd, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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