<!-- Source: https://docs.biosimulant.com/standards/model-compatibility/catalogue-domains/chemical -->

# Chemical identity and representation profiles

All profiles in the Chemical identity and representation domain, version 0.1.0-alpha.5. The Review column shows each profile's review status. In this release every profile is candidate or draft, and none has been scientifically reviewed yet. A profile describes whether two ports fit together; it does not establish scientific validity or clinical safety.

| Profile | Name | Stage | Review | Required items |
|---|---|---:|---:|---:|
| <span id="canonical-smiles"></span>[Canonical SMILES](/standards/model-compatibility/profiles/chemical/canonical-smiles/v0.1.json) | `canonical-smiles` | V0.1_PILOT | draft | 3 |
| <span id="chemical-descriptor-vector"></span>[Chemical Descriptor Vector](/standards/model-compatibility/profiles/chemical/chemical-descriptor-vector/v0.1.json) | `chemical-descriptor-vector` | WAVE_2 | candidate | 7 |
| <span id="chemical-identity"></span>[Chemical Identity](/standards/model-compatibility/profiles/chemical/chemical-identity/v0.1.json) | `chemical-identity` | WAVE_2 | candidate | 5 |
| <span id="chemical-similarity"></span>[Chemical Similarity](/standards/model-compatibility/profiles/chemical/chemical-similarity/v0.1.json) | `chemical-similarity` | WAVE_2 | candidate | 5 |
| <span id="chemical-structure"></span>[Chemical Structure](/standards/model-compatibility/profiles/chemical/chemical-structure/v0.1.json) | `chemical-structure` | V0.1_PILOT | draft | 5 |
| <span id="circular-fingerprint"></span>[Circular Fingerprint](/standards/model-compatibility/profiles/chemical/circular-fingerprint/v0.1.json) | `circular-fingerprint` | V0.1_PILOT | draft | 3 |
| <span id="conformer-ensemble"></span>[Conformer Ensemble](/standards/model-compatibility/profiles/chemical/conformer-ensemble/v0.1.json) | `conformer-ensemble` | WAVE_2 | candidate | 3 |
| <span id="exact-mass"></span>[Exact Mass](/standards/model-compatibility/profiles/chemical/exact-mass/v0.1.json) | `exact-mass` | WAVE_2 | candidate | 6 |
| <span id="formal-charge"></span>[Formal Charge](/standards/model-compatibility/profiles/chemical/formal-charge/v0.1.json) | `formal-charge` | WAVE_2 | candidate | 3 |
| <span id="inchi"></span>[InChI](/standards/model-compatibility/profiles/chemical/inchi/v0.1.json) | `inchi` | WAVE_2 | candidate | 3 |
| <span id="inchi-key"></span>[InChIKey](/standards/model-compatibility/profiles/chemical/inchi-key/v0.1.json) | `inchi-key` | WAVE_2 | candidate | 3 |
| <span id="isomeric-smiles"></span>[Isomeric SMILES](/standards/model-compatibility/profiles/chemical/isomeric-smiles/v0.1.json) | `isomeric-smiles` | WAVE_2 | candidate | 3 |
| <span id="lipophilicity"></span>[Lipophilicity](/standards/model-compatibility/profiles/chemical/lipophilicity/v0.1.json) | `lipophilicity` | WAVE_2 | candidate | 3 |
| <span id="molecular-formula"></span>[Molecular Formula](/standards/model-compatibility/profiles/chemical/molecular-formula/v0.1.json) | `molecular-formula` | WAVE_2 | candidate | 3 |
| <span id="molecular-graph"></span>[Molecular Graph](/standards/model-compatibility/profiles/chemical/molecular-graph/v0.1.json) | `molecular-graph` | WAVE_2 | candidate | 3 |
| <span id="molecular-weight"></span>[Molecular Weight](/standards/model-compatibility/profiles/chemical/molecular-weight/v0.1.json) | `molecular-weight` | WAVE_2 | candidate | 6 |
| <span id="path-fingerprint"></span>[Path Fingerprint](/standards/model-compatibility/profiles/chemical/path-fingerprint/v0.1.json) | `path-fingerprint` | WAVE_2 | candidate | 3 |
| <span id="pharmacophore-fingerprint"></span>[Pharmacophore Fingerprint](/standards/model-compatibility/profiles/chemical/pharmacophore-fingerprint/v0.1.json) | `pharmacophore-fingerprint` | WAVE_2 | candidate | 3 |
| <span id="pka"></span>[pKa](/standards/model-compatibility/profiles/chemical/pka/v0.1.json) | `pka` | WAVE_2 | candidate | 3 |
| <span id="protonation-state"></span>[Protonation State](/standards/model-compatibility/profiles/chemical/protonation-state/v0.1.json) | `protonation-state` | WAVE_2 | candidate | 3 |
| <span id="reaction-smiles"></span>[Reaction SMILES](/standards/model-compatibility/profiles/chemical/reaction-smiles/v0.1.json) | `reaction-smiles` | WAVE_2 | candidate | 3 |
| <span id="solubility"></span>[Solubility](/standards/model-compatibility/profiles/chemical/solubility/v0.1.json) | `solubility` | WAVE_2 | candidate | 3 |
| <span id="stereochemistry"></span>[Stereochemistry](/standards/model-compatibility/profiles/chemical/stereochemistry/v0.1.json) | `stereochemistry` | WAVE_2 | candidate | 3 |
| <span id="synthesis-route"></span>[Synthesis Route](/standards/model-compatibility/profiles/chemical/synthesis-route/v0.1.json) | `synthesis-route` | WAVE_2 | candidate | 3 |
| <span id="tautomer-state"></span>[Tautomer State](/standards/model-compatibility/profiles/chemical/tautomer-state/v0.1.json) | `tautomer-state` | WAVE_2 | candidate | 3 |

Each profile links to its JSON definition. See the [catalogue](/standards/model-compatibility/catalogue) for search, filters and what the Stage and Review columns mean.
