Cargando…

Target enhanced 2D similarity search by using explicit biological activity annotations and profiles

BACKGROUND: The enriched biological activity information of compounds in large and freely-accessible chemical databases like the PubChem Bioassay Database has become a powerful research resource for the scientific research community. Currently, 2D fingerprint based conventional similarity search (CS...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yu, Xiang, Geer, Lewis Y., Han, Lianyi, Bryant, Stephen H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4648974/ https://www.ncbi.nlm.nih.gov/pubmed/26583046 http://dx.doi.org/10.1186/s13321-015-0103-5

Ejemplares similares

Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining
por: Cheng, Tiejun, et al.
Publicado: (2011)

Two years of explicit CiTO annotations
por: Willighagen, Egon
Publicado: (2023)

Automated annotation of chemical names in the literature with tunable accuracy
por: Zhang, Jun D, et al.
Publicado: (2011)

PubChem3D: Biologically relevant 3-D similarity
por: Kim, Sunghwan, et al.
Publicado: (2011)

Automatic annotation of experimentally derived, evolutionarily conserved post-translational modifications onto multiple genomes
por: Sridhara, Viswanadham, et al.
Publicado: (2011)

MMDB: annotating protein sequences with Entrez's 3D-structure database
por: Wang, Yanli, et al.
Publicado: (2007)

The NCBI BioSystems database
por: Geer, Lewis Y., et al.
Publicado: (2010)

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis
por: Kim, Sunghwan, et al.
Publicado: (2012)

A survey of across-target bioactivity results of small molecules in PubChem
por: Han, Lianyi, et al.
Publicado: (2009)

Evading the annotation bottleneck: using sequence similarity to search non-sequence gene data
por: Gilchrist, Michael J, et al.
Publicado: (2008)

SEARCH: Spatially Explicit Animal Response to Composition of Habitat
por: Pauli, Benjamin P., et al.
Publicado: (2013)

Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets
por: Kim, Sunghwan, et al.
Publicado: (2016)

Sleep promotes offline enhancement of an explicitly learned discrete but not an explicitly learned continuous task
por: Siengsukon, Catherine F, et al.
Publicado: (2011)

PubChem3D: Similar conformers
por: Bolton, Evan E, et al.
Publicado: (2011)

YASS: enhancing the sensitivity of DNA similarity search
por: Noé, Laurent, et al.
Publicado: (2005)

Sleep-Effects on Implicit and Explicit Memory in Repeated Visual Search
por: Geyer, Thomas, et al.
Publicado: (2013)

An explicit-solvent conformation search method using open software
por: Gaalswyk, Kari, et al.
Publicado: (2016)

A search for structurally similar cellular internal ribosome entry sites
por: Baird, Stephen D., et al.
Publicado: (2007)

Increasing peptide identifications and decreasing search times for ETD spectra by pre-processing and calculation of parent precursor charge
por: Sridhara, Viswanadham, et al.
Publicado: (2012)

Determining similarity of scientific entities in annotation datasets
por: Palma, Guillermo, et al.
Publicado: (2015)

Improving automatic GO annotation with semantic similarity
por: Sarker, Bishnu, et al.
Publicado: (2022)

Improving protein structure similarity searches using domain boundaries based on conserved sequence information
por: Thompson, Kenneth Evan, et al.
Publicado: (2009)

Improving integrative searching of systems chemical biology data using semantic annotation
por: Chen, Bin, et al.
Publicado: (2012)

MMDB and VAST+: tracking structural similarities between macromolecular complexes
por: Madej, Thomas, et al.
Publicado: (2014)

Developing and validating predictive decision tree models from mining chemical structural fingerprints and high–throughput screening data in PubChem
por: Han, Lianyi, et al.
Publicado: (2008)

GO functional similarity clustering depends on similarity measure, clustering method, and annotation completeness
por: Liu, Meng, et al.
Publicado: (2019)

Similar network compositions, but distinct neural dynamics underlying belief updating in environments with and without explicit outcomes
por: Fiore, Vincenzo G., et al.
Publicado: (2022)

Comparisons Between COVID-19 Stigma and Other Stigmas: Distinct in Explicit Attitudes and Similar in Implicit Process
por: Zhu, Jiajia, et al.
Publicado: (2022)

Automated Ontological Gene Annotation for Computing Disease Similarity
por: Mathur, Sachin, et al.
Publicado: (2010)

Evaluating the effect of annotation size on measures of semantic similarity
por: Kulmanov, Maxat, et al.
Publicado: (2017)

Explicitly searching for useful inventions: dynamic relatedness and the costs of connecting versus synthesizing
por: Hsieh, Chihmao
Publicado: (2010)

A search programme of explicit $\nu$-oscillations with the ICARUS detector at long distances
por: Rubbia, André, et al.
Publicado: (1996)

Task-based memory systems in contextual-cueing of visual search and explicit recognition
por: Geyer, Thomas, et al.
Publicado: (2020)

Order, please! Explicit sequence learning in hybrid search in younger and older age
por: Wiegand, Iris, et al.
Publicado: (2021)

Explicit constructions of automorphic L-functions
por: Gelbart, Stephen, et al.
Publicado: (1987)

Drug Similarity Search Based on Combined Signatures in Gene Expression Profiles
por: Cha, Kihoon, et al.
Publicado: (2014)

Medial temporal lobe-dependent repetition suppression and enhancement due to implicit vs. explicit processing of individual repeated search displays
por: Geyer, Thomas, et al.
Publicado: (2012)

Community annotation in biology
por: Mazumder, Raja, et al.
Publicado: (2010)

Explicitly predicting outcomes enhances learning of expectancy-violating information
por: Brod, Garvin, et al.
Publicado: (2022)

Data-driven sequence learning or search: What are the prerequisites for the generation of explicit sequence knowledge?
por: Schwager, Sabine, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_v7lf89qra1lk64l28jeudmlb67