chemical similarity
Improving chemical similarity ensemble approach in target prediction
... the chemical simi- larity ensemble approach (SEA), which relates proteins to one another based on the chemical similarity among their bound ...
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Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
... the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery ...the similarity of natural products is a particularly ...
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A generalizable definition of chemical similarity for read-across
... between chemical com- pounds is usually based on the use of common binary rep- resentations of chemical structures ...a similarity coefficient (usually the Tanimoto dis- ...other similarity ...
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Leveraging 3D chemical similarity, target and phenotypic data in the identification of drug-protein and drug-adverse effect associations
... 3D chemical similarity, target and adverse effect data to generate a drug-target-adverse effect predictor along with a simple leveraging system to improve iden- tification of drug-targets and drug-adverse ...
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A tetraethylene glycol coat gives gold nanoparticles long in vivo half-lives with minimal increase in size
... The goal of these experiments was to determine whether a TEG-SH coat is useful for nanomedicine. TEG was chosen as a coat due to its small size and because of its chemical similarity to the widely used PEG. ...
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Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures
... a chemical similarity search [1], which involves calculating the similarity of a user-defined target structure with each of the molecules in a database using some quantitative measure of ...
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Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases
... Many different measures of chemical similarity have been described in the literature (see, e.g., [4- 7] ) but they all involve three principal components: a representation of molecular structure; a ...
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Computational methods for prediction of in vitro effects of new chemical structures
... bio- chemical pathways: the nuclear receptor pathway and the stress response ...of chemical similarity and machine-learning approaches in predicting the activity of the Tox21 dataset with high ...
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Dynamic Resource Allocation of Relay Routing Nodes and Similarity Measures for different Routing Protocols Sayyad Peeravali 1, Subhani Shaik2
... to chemical similarity (Martin et ...effect similarity (Campillos et ...combining chemical nodes-nodes similarity and sequence-based gene-gene similarity (Bleakley and Yamanishi, ...
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Chemical structure of odorants and perceptual similarity in ants
... to chemical substances in a ...that similarity in the neural representation of two odorants is not purely based on their chemical similarity, but might also depend on their functional value ...
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Evaluating Lexical Similarity to build Sentiment Similarity
... semantic similarity meaning that two semantically close words are close in the representation ...semantic similarity as encoded by the word representa- tion is correlated to the sentiment or emotional ...
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Machine Learning Approach by Document Clustering using Probability of Word Occurrences
... In the resent years the bigdata and data science become a fast developing area because of the ability of handling huge tens of terabytes of data. Generally the big data is classified into three categories such as ...
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Comparative analysis of volatiles difference of Yunnan sun-dried Pu-erh green tea from different tea mountains: Jingmai and Wuliang mountain by chemical fingerprint similarity combined with principal component analysis and cluster analysis
... Several chromatographic methods, including headspace solid-phase micro extraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS), high performance liquid chromatography (HPLC) and ultra-performance ...
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Pseudo Similar Intuitionistic Fuzzy Matrices
... Pseudo similarity and Semi similarity of IFMs are defined ...Pseudo similarity relation on a pair of IFMs is inherited by all its powers and the Pseudo similarity relation preserve regularity ...
5
An Improved Item based Collaborative Filtering Recommendation System
... classify similarity into direct similarity and indirect ...direct similarity is calculated by traditional cosine similarity, and the indirect similarity is used to transfer the ...
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Chemical Informatics and Cyberinfrastructure Collaboratory at Indiana University: Talk I
... Bulk download of Pubmed abstracts Extract chemical structures OSCAR3 Service Find similar molecules Searchable (structure/similarity) Grid database Local DTP database PubChem PDBBind F[r] ...
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Chemical Informatics and Cyberinfrastructure Collaboratory at Indiana University: Talk II
... Bulk download of Pubmed abstracts Extract chemical structures OSCAR3 Service Find similar molecules Searchable (structure/similarity) Grid database Local DTP database PubChem PDBBind F[r] ...
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Sensitivity to relational similarity and object similarity in apes and children
... Figure 1. Experimental set-up for Phase 1 – Relational Similarity Only. Subjects saw a bait hidden in one of the three containers on the left box (Hiding Box 1), and they had to search among the containers on the ...
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Dynamical similarity
... namical similarity and identified the algebra of invariants, our goal is now to describe physics purely in terms of these ...namical similarity and contact dynamics of the reduced space of ...
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DKPro Similarity: An Open Source Framework for Text Similarity
... compute similarity along other text characteristics. Thus, DKPro Similarity also includes measures for structural, stylistic, and phonetic ...Structural Similarity Structural similarity be- ...
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