scholarly article | Q13442814 |
P50 | author | Janna Hastings | Q27902110 |
P2093 | author name string | Fabian Neuhaus | |
Till Mossakowski | |||
Adel Memariani | |||
Martin Glauer | |||
P2860 | cites work | PubChemRDF: towards the semantic annotation of PubChem compound and substance databases | Q20987307 |
InChI, the IUPAC International Chemical Identifier | Q21146620 | ||
"Found in Translation": predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models | Q90843756 | ||
Deep Learning in Chemistry | Q92717165 | ||
Machine Learning to Predict Binding Affinity | Q92885849 | ||
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra | Q102369470 | ||
ChEBI: a database and ontology for chemical entities of biological interest | Q24650818 | ||
Long short-term memory | Q24805158 | ||
Structure-based classification and ontology in chemistry | Q27499224 | ||
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy | Q27902281 | ||
ChEBI in 2016: Improved services and an expanding collection of metabolites | Q27942676 | ||
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules | Q28090714 | ||
Deep learning for computational chemistry | Q30399624 | ||
A rule-based ontological framework for the classification of molecules | Q30486892 | ||
Self-organizing ontology of biochemically relevant small molecules | Q34119402 | ||
Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology | Q34878068 | ||
Improving chemical entity recognition through h-index based semantic similarity | Q35092880 | ||
BiNChE: a web tool and library for chemical enrichment analysis based on the ChEBI ontology | Q35146914 | ||
Automated compound classification using a chemical ontology | Q36541889 | ||
DINTO: Using OWL Ontologies and SWRL Rules to Infer Drug-Drug Interactions and Their Mechanisms | Q38408635 | ||
CO: A chemical ontology for identification of functional groups and semantic comparison of small molecules | Q38413262 | ||
Exploiting disjointness axioms to improve semantic similarity measures | Q38445232 | ||
The graph neural network model | Q46044773 | ||
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks | Q48024105 | ||
Big Data in Drug Discovery. | Q52572586 | ||
Machine learning in chemoinformatics and drug discovery. | Q54373716 | ||
OWL 2: The next step for OWL | Q55894870 | ||
Structured objects in owl | Q56567693 | ||
Formal Concept Analysis: Mathematical Foundations | Q56679778 | ||
Modelling Structured Domains Using Description Graphs and Logic Programming | Q56988615 | ||
Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas | Q57015975 | ||
A survey of hierarchical classification across different application domains | Q57597648 | ||
PubChem 2019 update: improved access to chemical data | Q58106115 | ||
Computational prediction of inter-species relationships through omics data analysis and machine learning | Q59330188 | ||
Machine Learning Methods in Computational Toxicology | Q89208331 | ||
Deep Learning for Deep Chemistry: Optimizing the Prediction of Chemical Patterns | Q89623133 | ||
P4510 | describes a project that uses | Bayes' theorem | Q182505 |
P433 | issue | 1 | |
P304 | page(s) | 23 | |
P577 | publication date | 2021-03-16 | |
P1433 | published in | Journal of Cheminformatics | Q6294930 |
P1476 | title | Learning chemistry: exploring the suitability of machine learning for the task of structure-based chemical ontology classification | |
P478 | volume | 13 |
Q115440090 | An impact of ontology-based service-oriented ecosystems on digital transformation of railway transport and engineering education |
Q112680142 | From Platform to Knowledge Graph: Evolution of Laboratory Automation |
Q108126975 | Metabolomics-Guided Elucidation of Plant Abiotic Stress Responses in the 4IR Era: An Overview |
Q110391628 | NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products |
Q113880804 | OARD: Open annotations for rare diseases and their phenotypes based on real-world data |
Q115715393 | Ontologies4Chem: the landscape of ontologies in chemistry |
Search more.