Hermann Kroll
Computer Scientist
Wolf-Tilo Balke
Professor
Christina Draheim
Pharmacist
Stefan Wulle
Pharmacist
Johannes Ruthmann
Research Assistant
Jan Pirklbauer
Research Assistant
Morris Kunz
Research Assistant
Pascal Sackhoff
Research Assistant
Bill Matthias Thang
Research Assistant
| Concept Type | Source | Description |
|---|---|---|
| Chemical | ChEMBL | general chemicals |
| Drug | ChEMBL | active ingredients/drug/substances (no trade names) |
| Disease | MeSH | diseases, symptoms, side effects |
| Dosage Form | MeSH + Custom | forms in which a drug is administered / bound |
| Excipient | Custom | ingredients / chemicals that are used in dosage forms |
| HealthStatus | MeSH | Status for patients (women, men, alcoholics, ...) |
| Method | MeSH | general methods for investigation |
| LabMethod | MeSH | manually selected subset of Methods that are classfied as labor relevant methods |
| PlantFamiliy/Genus | Wikidata | Plants (Families, Genus). Additional Cleaning is performed. |
| Target | NCBI Genes | Pharmaceutical Targets (proteases, lactamase, ...) |
| Vaccine | MeSH | Vaccines for different diseases |
| Interaction | Explanation |
|---|---|
| associated | The general relation associated describes that two concepts are mentioned within the same sentence and connected via a verb/keyword. |
| administered | Administered describes that some substance (Chemical, Drug, Excipient or Plant Family) is given in a dosage dorm (tablet, injection, etc.). |
| compares | Compares describes that some concepts are compared. |
| decreases | Decreases describes that some effect is lowered, e.g., a drug might lower the expression of some target. A search for decreases also includes searches for the inhibits relation. |
| induces | Induces describes that some effect / expression is increased, e.g., a drug might increase the expression of a disease. Induces may be used to search for side effects. |
| interacts | Interacts describe an interaction between concepts (drugs, targets, etc.). A search for interacts also includes searches for metabolises and inhibits. |
| inhibits | Inhibits describes an inhibition of some target, e.g., a drug might inhibit some target. |
| metabolises | Metabolises describes that a target is metabolised by some substance, e.g., a drug might be metabolised by a target. |
| method | Method describes a relation that involves a method or lab method, e.g., a drug might be analysed via a method. |
| treats | Treats describe that some disease or species is treated with a substance (Chemical, Drug, Excipient), e.g., a drug might prevent or lower the expression of some disease. |
The following table displays which regular expressions and synonyms we consider to represent an interaction. We also provide this list as a JSON file.
| Interaction | Explanation |
|---|---|
| associated | General relation. Any predicate and those special words: associat*, contain, produce, convert, yield, isolate, generate, synthesize, grow, occures, evaluat*, augment, effect, develop*, affect, contribut*, involve, isa, same as, coexists with, process, part of, associate, play, limit, show, present, exhibit, find, form |
| administered | Relation between Dosage Forms and any other concept. receiv*, administrat* |
| compares | compar*, correlate*, correspond* |
| decreases | reduc*, lower*, attenuat*, mediate, downregulat*, down-regulat*, down regulat* |
| induces | stimulat*, increas*, potentiat*, enhanc*, activat*, lead, cause, side effect*, adverse, complication*, drug toxicit*, drug injur*, upregulat*, up regulat*, up-regulat* |
| interacts | bind, interact*, target*, regulat*, block* |
| inhibits | disrupt*, suppres*, inhibit*, disturb* |
| metabolises | metabol* |
| method | Relation between Methods and any other concept. method* |
| treats | prevent*, use, improv*, promot*, sensiti*, aid, treat*, *therap* |
The following hierarchy displays how interactions are expanded in our system, e.g., associated is expanded to any other relation or interacts is expanded to inhibits or metabolises.