Found: 71
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Metabolomics: The Stethoscope for the Twenty-First Century.
- Published in:
- 2021
- By:
- Publication type:
- journal article
From biomedical cloud platforms to microservices: next steps in FAIR data and analysis.
- Published in:
- Scientific Data, 2022, v. 9, n. 1, p. 1, doi. 10.1038/s41597-022-01619-5
- By:
- Publication type:
- Article
Estimating diagnostic uncertainty in artificial intelligence assisted pathology using conformal prediction.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-34945-8
- By:
- Publication type:
- Article
A method for Boolean analysis of protein interactions at a molecular level.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-32395-w
- By:
- Publication type:
- Article
Integrating Statistical and Machine-Learning Approach for Meta-Analysis of Bisphenol A-Exposure Datasets Reveals Effects on Mouse Gene Expression within Pathways of Apoptosis and Cell Survival.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 19, p. 10785, doi. 10.3390/ijms221910785
- By:
- Publication type:
- Article
A phenomics approach for antiviral drug discovery.
- Published in:
- BMC Biology, 2021, v. 19, n. 1, p. 1, doi. 10.1186/s12915-021-01086-1
- By:
- Publication type:
- Article
scConnect: a method for exploratory analysis of cell–cell communication based on single-cell RNA-sequencing data.
- Published in:
- Bioinformatics, 2021, v. 37, n. 20, p. 3501, doi. 10.1093/bioinformatics/btab245
- By:
- Publication type:
- Article
Rapid development of cloud-native intelligent data pipelines for scientific data streams using the HASTE Toolkit.
- Published in:
- GigaScience, 2021, v. 10, n. 3, p. 1, doi. 10.1093/gigascience/giab018
- By:
- Publication type:
- Article
MaRe: Processing Big Data with application containers on Apache Spark.
- Published in:
- GigaScience, 2020, v. 9, n. 5, p. N.PAG, doi. 10.1093/gigascience/giaa042
- By:
- Publication type:
- Article
SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines.
- Published in:
- GigaScience, 2019, v. 8, n. 5, p. N.PAG, doi. 10.1093/gigascience/giz044
- By:
- Publication type:
- Article
Tracking the NGS revolution: managing life science research on shared high-performance computing clusters.
- Published in:
- GigaScience, 2018, v. 7, n. 5, p. N.PAG, doi. 10.1093/gigascience/giy028
- By:
- Publication type:
- Article
Recommendations on e-infrastructures for next-generation sequencing.
- Published in:
- GigaScience, 2016, v. 5, p. 1, doi. 10.1186/s13742-016-0132-7
- By:
- Publication type:
- Article
Author Correction: A method for Boolean analysis of protein interactions at a molecular level.
- Published in:
- 2023
- By:
- Publication type:
- Correction Notice
RDFIO: extending Semantic MediaWiki for interoperable biomedical data management.
- Published in:
- Journal of Biomedical Semantics, 2017, v. 8, p. 1, doi. 10.1186/s13326-017-0136-y
- By:
- Publication type:
- Article
Linking the Resource Description Framework to cheminformatics and proteochemometrics.
- Published in:
- Journal of Biomedical Semantics, 2011, v. 2, n. Suppl 1, p. 1, doi. 10.1186/2041-1480-2-S1-S6
- By:
- Publication type:
- Article
A Unified Proteochemometric Model for Prediction of Inhibition of Cytochrome P450 Isoforms.
- Published in:
- PLoS ONE, 2013, v. 8, n. 6, p. 1, doi. 10.1371/journal.pone.0066566
- By:
- Publication type:
- Article
Proteochemometric Modeling of the Susceptibility of Mutated Variants of the HIV-1 Virus to Reverse Transcriptase Inhibitors.
- Published in:
- PLoS ONE, 2010, v. 5, n. 12, p. 1, doi. 10.1371/journal.pone.0014353
- By:
- Publication type:
- Article
Deep Learning in Image Cytometry: A Review.
- Published in:
- Cytometry. Part A, 2019, v. 95, n. 4, p. 366, doi. 10.1002/cyto.a.23701
- By:
- Publication type:
- Article
The ChEMBL database as linked open data.
- Published in:
- Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-23
- By:
- Publication type:
- Article
Applications of the InChI in cheminformatics with the CDK and Bioclipse.
- Published in:
- Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-14
- By:
- Publication type:
- Article
Towards interoperable and reproducible QSAR analyses: Exchange of datasets.
- Published in:
- Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-5
- By:
- Publication type:
- Article
Mass spectrometry based metabolomics for in vitro systems pharmacology: pitfalls, challenges, and computational solutions.
- Published in:
- Metabolomics, 2017, v. 13, n. 7, p. 1, doi. 10.1007/s11306-017-1213-z
- By:
- Publication type:
- Article
Brunn: An open source laboratory information system for microplates with a graphical plate layout design process.
- Published in:
- 2011
- By:
- Publication type:
- Product Review
Use of historic metabolic biotransformation data asa means of anticipating metabolic sites usingMetaPrint2D and Bioclipse.
- Published in:
- BMC Bioinformatics, 2010, v. 11, p. 362, doi. 10.1186/1471-2105-11-362
- By:
- Publication type:
- Article
An eScience-Bayes strategy for analyzing omicsdata.
- Published in:
- BMC Bioinformatics, 2010, v. 11, p. 282, doi. 10.1186/1471-2105-11-282
- By:
- Publication type:
- Article
The C¹C²: A framework for simultaneous model selection and assessment.
- Published in:
- BMC Bioinformatics, 2008, v. 9, p. 1, doi. 10.1186/1471-2105-9-360
- By:
- Publication type:
- Article
Proteochemometric modeling of HIV protease susceptibility.
- Published in:
- BMC Bioinformatics, 2008, v. 9, p. 1, doi. 10.1186/1471-2105-9-181
- By:
- Publication type:
- Article
Bioclipse: an open source workbench for chemo- and bioinformatics.
- Published in:
- BMC Bioinformatics, 2007, v. 8, p. 59, doi. 10.1186/1471-2105-8-59
- By:
- Publication type:
- Article
E-Science technologies in a workflow for personalized medicine using cancer screening as a case study.
- Published in:
- 2017
- By:
- Publication type:
- journal article
Predicting target profiles with confidence as a service using docking scores.
- Published in:
- Journal of Cheminformatics, 2020, v. 12, n. 1, p. N.PAG, doi. 10.1186/s13321-020-00464-1
- By:
- Publication type:
- Article
Towards reproducible computational drug discovery.
- Published in:
- Journal of Cheminformatics, 2020, v. 12, n. 1, p. 1, doi. 10.1186/s13321-020-0408-x
- By:
- Publication type:
- Article
Evaluating parameters for ligand-based modeling with random forest on sparse data sets.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0304-9
- By:
- Publication type:
- Article
Novel applications of Machine Learning in cheminformatics.
- Published in:
- 2018
- By:
- Publication type:
- Editorial
A confidence predictor for logD using conformal regression and a support-vector machine.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0271-1
- By:
- Publication type:
- Article
Efficient iterative virtual screening with Apache Spark and conformal prediction.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0265-z
- By:
- Publication type:
- Article
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
- Published in:
- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0220-4
- By:
- Publication type:
- Article
Large-scale virtual screening on public cloud resources with Apache Spark.
- Published in:
- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0204-4
- By:
- Publication type:
- Article
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.
- Published in:
- Journal of Cheminformatics, 2016, v. 8, p. 1, doi. 10.1186/s13321-016-0179-6
- By:
- Publication type:
- Article
XMetDB: an open access database for xenobiotic metabolism.
- Published in:
- Journal of Cheminformatics, 2016, v. 8, p. 1, doi. 10.1186/s13321-016-0161-3
- By:
- Publication type:
- Article
Large-scale ligand-based predictive modelling using support vector machines.
- Published in:
- Journal of Cheminformatics, 2016, v. 8, p. 1, doi. 10.1186/s13321-016-0151-5
- By:
- Publication type:
- Article
Cancer Biology, Toxicology and Alternative Methods Development Go Hand-in-Hand.
- Published in:
- Basic & Clinical Pharmacology & Toxicology, 2014, v. 115, n. 1, p. 50, doi. 10.1111/bcpt.12257
- By:
- Publication type:
- Article
Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction.
- Published in:
- Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.01256
- By:
- Publication type:
- Article
A Toxicology Ontology Roadmap.
- Published in:
- Altex, 2012, v. 29, n. 2, p. 129, doi. 10.14573/altex.2012.2.129
- By:
- Publication type:
- Article
Toxicology Ontology Perspectives.
- Published in:
- Altex, 2012, v. 29, n. 2, p. 139, doi. 10.14573/altex.2012.2.139
- By:
- Publication type:
- Article
Evaluating the utility of brightfield image data for mechanism of action prediction.
- Published in:
- PLoS Computational Biology, 2023, v. 19, n. 7, p. 1, doi. 10.1371/journal.pcbi.1011323
- By:
- Publication type:
- Article
The LCB Data Warehouse.
- Published in:
- Bioinformatics, 2006, v. 22, n. 8, p. 1024, doi. 10.1093/bioinformatics/btl036
- By:
- Publication type:
- Article
Biochemical Differences in Cerebrospinal Fluid between Secondary Progressive and Relapsing–Remitting Multiple Sclerosis.
- Published in:
- Cells (2073-4409), 2019, v. 8, n. 2, p. 84, doi. 10.3390/cells8020084
- By:
- Publication type:
- Article
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.
- Published in:
- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00723-x
- By:
- Publication type:
- Article
SimVec: predicting polypharmacy side effects for new drugs.
- Published in:
- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00632-5
- By:
- Publication type:
- Article
Predicting protein network topology clusters from chemical structure using deep learning.
- Published in:
- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00622-7
- By:
- Publication type:
- Article