Allotrope Data Model (ADM) and Generated Simple Model (ASM) Availability 
Last Updated: September 30, 2022

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Model
Use Case
Type
Maturity
Availability
Status
Generated ASM
1
Automated Reactors - PAT (Process Analytical Technology)
Models the output of an automated reactor over a time period, including support for multiple common analytical techniques as well as a generic profile for arbitrary analysis
Tabular
REC
2021/09
Released
2022/03
2
Balance
Weight measurement of mass with a balance instrument
Tabular
REC
2020/06
Released
2021/09
3
Blood Gas Analyzer (BGA)
Measures the partial pressures of oxygen and carbon dioxide in the blood as well as its pH
Tabular
REC
2020/03
Released
2021/12
4
Bulk Density
Measures the mass of the many particles of the material divided by the total volume they occupy. It is used in determining the amount of powder that can fit in a space
Tabular
REC
2020/12
Released
2021/12
5
Calibration
A generic calibration report model for an instrument
Graph
REC
2021/03
Released
N/A
6
Cell Counting
Assessment of number of cells, viability percentage and other properties measured by a cell counter instrument.
Tabular
REC
2020/06
Released
2021/12
7
Cell Culture Analyzer (Metabolite Analyzer)
Assessment of cell culture health inclusive of glucose and lactate as indicators.
Tabular
REC
2020/12
Released
2021/12
8
Code Reader
The operation and resulting scanned code by a by barcode reader
Tabular
REC
2022/06
Released
2022/06
9
Conductivity
Measure the level of conductivity in solutions
Tabular
REC
2020/03
Released
2021/09
10
Differential Scanning Calorimetry (DSC)
A thermoanalytical technique in which the difference in the amount of heat required to increase the temperature of a sample and reference is measured as a function of temperature
Tabular
REC
2020/12
Released
2021/12
11
Disintegration
Disintegration test determines whether a particular dosage form disintegrate within a prescribed time
Tabular
REC
2021/06
Released
2021/12
12
Dynamic Vapor Sorption Analyzer (DVS)
DVS is a gravimetric sorption technique that measures how quickly and how much of a solvent is absorbed by a sample. It quantitate the ability of a solid to absorb/desorb a vapor.
Tabular
REC
2020/09
Released
2021/12
13
Fluorescence
Detecting and quantifying the light photons emitted by a fluorescent sample present in a microplate upon excitation with light at a specific wavelength.
Tabular
REC
2021/06
Released
2021/12
14
Foam Height
Measurements to test foaming behavior. The test is using image processing techniques.
Tabular
REC
2022/06
Released
2022/06
15
Foam Qualification
Measures the rise process of polyol in foam formulations
Tabular
CR
2022/06
Released
2022/06
16
FPLC
Fast protein liquid chromatography is used to analyze or purify large biomolecules such as mixtures of proteins, nucleotides and peptides.
Graph
REC
2021/09
Released
N/A
17
FPLC
Fast protein liquid chromatography is used to analyze or purify large biomolecules such as mixtures of proteins, nucleotides and peptides.
Tabular
REC
2022/09
Released
2022/09
18
FTIR
FTIR spectroscopy is used for identify compounds and determine components in a mixture
Tabular
REC
2021/03
Released
2021/12
19
Gas Chromatography
Results interpretation of a Gas Chromatography experiment
Graph
REC
2020/12
Released
N/A
20
Gas Chromatography
Results interpretation of a Gas Chromatography experiment
Tabular
REC
2022/06
Released
2022/06
21
Gloss
Measuring the specular reflection (gloss) of a surface
Tabular
CR
2022/09
Released
2022/09
22
Hot Tack
A test to determine the strength of a heat seal, while it is still hot
Tabular
CR
2022/09
Released
2022/09
23
LC-MS
Results interpretation of a Liquid Chromatography - Mass Spectrometry experiment
Graph
CR
2020/03
Released
N/A
24
LC-UV
Results interpretation of a Liquid Chromatography - Ultraviolet detection experiment
Graph
REC
2020/12
Released
N/A
25
LC-UV Method
Standardized method descriptions of a Liquid Chromatography - Ultraviolet detection experiment to allow a unified method import and export across different instruments
Graph
REC
2020/09
Released
N/A
26
Light Obscuration (Liquid Particle Counter)
Liquid particle counting and sizing
Tabular
REC
2021/06
Released
2021/12
27
Liquid Chromatography
Generic results of a Liquid Chromatography experiment
Tabular
REC
2021/09
Released
2021/12
28
Loss on Drying
Volatile solvent content by measuring the weight loss from the material
Tabular
REC
2021/06
Released
2021/12
29
Luminescence
Detecting and quantifying the light photons emitted by chemical, bio-chemical or enzymatic reactions.
Tabular
REC
2021/06
Released
2021/12
30
Mass Spectrometry - Intact Mass
Assessment of a protein's total molecular weight by mass spectrometry (MS) without prior digestion or fragmentation of the molecule of interest
Graph
REC
2021/12
Released
N/A
31
Mass Spectrometry
A generic result model of a mass spectrometry (MS) experiment
Tabular
REC
2022/06
Released
2022/06
33
Nephelometry
Identify extraneous matter in a dissolved sample.
Tabular
REC
2020/09
Released
2021/12
34
Optical Microscopy
Imaging particle crystallinity or size.
Tabular
REC
2021/03
Released
2022/03
35
Osmolality
Measuring the concentration of all chemical particles found in the fluid part of blood.
Tabular
REC
2020/09
Released
2021/09
36
Oven/Coulometric Karl Fischer (KF)
Measuring the trace amount of water in a sample
Tabular
REC
2021/06
Released
2021/12
37
Particle Size Distribution (PSD)
Measure of distribution of particle sizes in a sample
Tabular
REC
2020/12
Released
2021/12
38
pH
Measuring the acidity or alkalinity of a solution
Tabular
REC
2020/03
Released
2021/12
39
qNMR
Measuring the purity or solvent content of a sample using NMR spectroscopy
Tabular
REC
2021/03
Released
2022/03
40
qPCR
qPCR Assay Plate Reader – quantify DNA impurities and general quantification of DNA
Tabular
REC
2021/03
Released
2021/12
41
Raman
Capture material identity testing results via Raman spectroscopy
Tabular
REC
2020/06
Released
2021/12
42
Scanning Electron Microscope (SEM)
Investigating the microstructure and chemistry of a range of materials
Tabular
REC
2021/06
Released
2022/03
43
Single Quad-Mass Spec (SQD-MS)
Identify and quantify compounds using a single quadrupole mass filter in mass spectrometry
Graph
REC
2020/12
Released
N/A
44
Specific Rotation
Measuring the chirality of dissolved sample. (e.g. typical for an identity test).
Tabular
REC
2021/06
Released
2021/09
45
Supercritical Fluid Chromatography (SFC)
Chromatography results of an experiment where supercritical fluid is used as mobile phase
Graph
REC
2020/12
Released
N/A
46
Surface Area Analysis
Particle measurement that provides data relevant to a material's adsorption and dissolution properties
Tabular
REC
2020/12
Released
2021/12
47
Tablet Hardness (Hardness Tester)
Determine the breaking point and structural integrity of a tablet
Tabular
REC
2021/06
Released
2021/12
48
Tensile Testing
A destructive test process that provides information about the tensile strength, yield strength, and ductility of a material
Tabular
REC
2021/12
Released
2021/12
49
Thermogravimetric Analysis
Determining a material's thermal stability and its fraction of volatile components
Tabular
REC
2020/06
Released
2021/12
50
Titration (inclusive of KF)
Determining the unknown concentration of an identified analyte
Tabular
REC
2020/06
Released
2021/12
51
Ultraviolet (UV) Absorbance
Measuring how much a chemical substance absorbs ultraviolet light
Tabular
REC
2021/09
Released
2021/12
52
X-Ray Powder Diffraction
Identifying unknown crystalline materials (e.g. minerals, inorganic compounds).
Tabular
REC
2020/03
Released
2021/09
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============ Models Under Discussion ============
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53
Chromatography Column
A generic model to represent a chromatography column properties
TBD
TBD
TBD
Under discussion
TBD
54
Dissolution
Dissolution testing measures the extent and rate of solution formation from a dosage form
Tabular
TBD
TBD
Under discussion
TBD
55
Electrochemical Tester
Electrochemical test uses electrical stimulation to analyze the chemical reactivity of a sample surface or a solution.
Tabular
TBD
TBD
Under discussion
TBD
56
Multiangle Light Scattering (MALS) Detection
Determining both the absolute molar mass and the average size of molecules in solution (by detecting how they scatter light)
Tabular
TBD
TBD
Under discussion
TBD

Release Naming Conventions (Maturity)

The AFO, ASM, and ADM releases are named according to a simplified model of the W3C classification system. These levels are designed to convey the level of maturity of a particular model or term. Note that different terms and different data models within the Allotrope ecosystem will have different maturity levels, and that maturity levels will change over their lifetimes.

Working Draft (WD)

All models and terms start their lives as an implicit or explicit Working Draft. This level indicates that the content is under active development and may change significantly before being promoted to another level. Allotrope does not recommend the incorporation of working draft models into external software.

The WD is intended to be a community preview of current work in progress to increase the visibility of domains being developed in a centralized location within the main ADM repository. While Working Drafts are subject to major revision at any time, they often contain subparts which may be useful when modeling other domains; this allows working groups to communicate ideas and norm on shared patterns early, streamlining governance.

Terms submitted as a Working Draft are eligible for assignment of official Allotrope IRIs and require only a draft definition and a preferred label. As long as definition semantically is the same, the minted IRI will not change and can make it to full maturity.

Lastly, in the event that current work needs to be paused or put aside for some time, working groups should consider developing their models into Working Drafts so that the work can be built upon in the future.

Candidate Recommendation (CR)

A Candidate Recommendation term or model has been through semantic governance and has the approval of both the original development group and the Principal Semantic Engineer (PSE). Models in the CR state will not change in content for that particular release, but may change for technical reasons to address bugs akin to a software hotfix.

Models in Candidate Recommendation are considered by Allotrope to be stable enough for incorporate into external software and processes.

Recommendation (REC)

Recommendation represents the highest level of maturity for a term or model. Artifacts that are Recommended are frozen and will not change for that revision. New developments or other changes will result in a new version of the model.

Governance flow_WD_CR_REC_Approved for U

Model Types

All models, whether simple or complex, take the form of a semantic graph, which uses semantic triples to encode information. These semantic graphs have varying complexity that is driven by the complexity of the scientific domain that is being modeled. For many domains, a simpler set of triples which represent key/value pairs may be sufficient to faithfully represent the data. In other cases, the need to represent data about multiple objects necessitates connections between these key/value pairs which creates a connected graph. When starting, the suggested approach is to choose the simplest model which can represent the information. As all graphs live on a continuum, it’s possible to enrich a simple model over time to capture more complex relationships. Thus, it’s not really appropriate to say a Tabular or Connected Model approach is an either-or proposition; they are both semantic graph models of varying complexity.

  • Tabular Model: For domains where there is a single business object which is being measured and all of the measurements are directly related to this object, a tabular approach can be used. The tabular simplifies modeling by capturing just the individual measurements and associated measurement units and attaches them to a single entity being measured using a leaf node data pattern and simple aggregation patterns.

    • Another way to think of tabular models is as a set of key/value pairs, where the keys can be clearly distinguished without ambiguity and no references are required between keys (they can stand alone and accurately describe the data without relating to anything else.) Note that the context of the key/value pairs is represented only by the ADF file they are defined within; there may be no central node which connects the different keys. Tabular models are quick to assemble but lack the flexibility of full graph models. Nevertheless, tabular models, if constructed correctly, can be enhanced into full graph models as desired; many domains can be completely modeled using a tabular approach and no further expansion into a full graph is necessary.

  • Graph Model: For domains where there are multiple business objects being modeled or there are complex relationships such that it is insufficient to capture just the simple outputs of a single entity, a connected graph model richly models the different relationships in a complete, connected graph. An example of a connected graph model is the Allotrope LC-UV ADM.