Statements (51)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:academic
interdisciplinary field |
| gptkbp:appliesTo |
materials science
drug discovery molecular modeling |
| gptkbp:focusesOn |
analysis of chemical data
prediction of chemical properties retrieval of chemical data storage of chemical data visualization of chemical data |
| gptkbp:hasApplication |
chemical data analysis
chemical information retrieval chemical structure search toxicity prediction chemical data integration ADMET prediction chemical database management lead optimization chemical data curation chemical data mining chemical data modeling chemical data sharing chemical data standardization chemical data visualization chemical patent analysis chemical reaction informatics compound library design structure-activity relationship analysis |
| https://www.w3.org/2000/01/rdf-schema#label |
Chemoinformatics
|
| gptkbp:relatedTo |
chemical engineering
chemistry computational chemistry computer science information science pharmaceutical sciences bioinformatics |
| gptkbp:uses |
gptkb:machine_learning
gptkb:SMILES_notation gptkb:InChI databases algorithms data mining virtual screening molecular fingerprints chemical structure representation chemical informatics software quantitative structure-activity relationship (QSAR) chemical similarity searching cheminformatics tools |
| gptkbp:bfsParent |
gptkb:Inductive_Logic_Programming
|
| gptkbp:bfsLayer |
8
|