Triple
T19774011
| Position | Surface form | Disambiguated ID | Type / Status |
|---|---|---|---|
| Subject | CSD-Discovery |
E474957
|
entity |
| Predicate | instanceOf |
P0
|
FINISHED |
| Object | molecular modelling software |
C42602
|
CONCEPT FINISHED |
How this triple was built (1 step)
Every LLM step that produced this triple, in pipeline order — named-entity classification, the disambiguation choices (the exact options shown, with the pick highlighted), and the generated description. The batch + timestamp of each is in the Provenance table below.
CD
Concept disambiguation
gpt-5-mini-2025-08-07
Target class: molecular modelling software Context triple: [CSD-Discovery, instanceOf, molecular modelling software]
-
A.
molecular quantum mechanics method
A molecular quantum mechanics method is a theoretical and computational approach that applies quantum mechanical principles to describe and predict the electronic structure, properties, and behavior of molecules.
-
B.
high-performance computing software
High-performance computing software consists of specialized programs and frameworks designed to efficiently execute large-scale, compute-intensive tasks by exploiting parallelism and advanced hardware architectures such as clusters, supercomputers, and GPUs.
-
C.
formulation design software
Formulation design software is a digital tool that enables scientists and engineers to model, optimize, and validate the composition and processing parameters of complex products such as pharmaceuticals, coatings, foods, and cosmetics.
-
D.
3D design software
3D design software is a digital tool that enables users to create, modify, and visualize three-dimensional models for applications such as product design, architecture, animation, and engineering.
-
E.
conformational analysis method
A conformational analysis method is a systematic approach used to identify, compare, and evaluate the different spatial arrangements (conformations) of a molecule and their relative stabilities.
- F. None of above. chosen
Provenance (1 batch)
The batch behind each pipeline step, in order, with when it ran. Timestamps are batch-level — stages were processed in waves, so the object chain (NER → NED1 → NEDg → NED2) reads in order, but predicate / elicitation batches can sit in a different wave.
| Step | Stage | Batch ID | Status | When |
|---|---|---|---|---|
| creating | Elicitation | batch_69d8e51a43a08190956bc6df13c91a77 |
completed | April 10, 2026, 11:55 a.m. |
Created at: April 10, 2026, 1:48 p.m.