API Reference

Predictions

Adme

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Retrieve an ADME prediction

client.Predictions.Adme.Get(ctx, id, query) (*PredictionAdmeGetResponse, error)

GET/compute/v1/predictions/adme/{id}

Retrieve an ADME prediction by ID, including its status and results.

ParametersExpand Collapse

id string

query PredictionAdmeGetParams

WorkspaceID param.Field[string]Optional

Workspace ID. Only used with admin API keys. Ignored (or validated) for workspace-scoped keys.

ReturnsExpand Collapse

type PredictionAdmeGetResponse struct{…}

ID string

Unique prediction identifier

CompletedAt Time

formatdate-time

CreatedAt Time

formatdate-time

DataDeletedAt Time

When the input/output data was deleted, or null if still available

formatdate-time

Error PredictionAdmeGetResponseError

Error details when failed

Code string

Machine-readable error code

Message string

Human-readable error message

Details anyOptional

Additional field-level error details keyed by input path, when available.

ExpiresAt Time

When this resource and its associated data will be permanently deleted. Null while still in progress.

formatdate-time

Input PredictionAdmeGetResponseInput

Prediction input (null if data deleted)

Molecules []PredictionAdmeGetResponseInputMolecule

Molecules to score (1-128 per request). Results are returned in the same order as this list.

Smiles string

SMILES string of the molecule to predict ADME properties for.

minLength1

ID stringOptional

Optional client-provided identifier. Returned as external_id in the matching output item.

minLength1

maxLength128

Livemode bool

Whether this resource was created with a live API key.

Model AdmeV1

Model used for prediction

Output PredictionAdmeGetResponseOutput

Prediction output when succeeded

Molecules []PredictionAdmeGetResponseOutputMoleculeUnion

Per-molecule results in the same order as the request. Successful molecules carry an adme summary. Failed molecules carry status: "failed" and a non-null error.

One of the following:

type PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceeded struct{…}

ID string

Internally generated molecule identifier.

Adme PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdme

Tier 1 ADME summary values for this molecule.

Lipophilicity float64

Lipophilicity score from the internal LogD prediction.

Permeability float64

Permeability score for this molecule.

Solubility PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility

Solubility judgement for this molecule.

One of the following:

const PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubilityHighConfidence PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility = "high-confidence"

const PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubilityMediumConfidence PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility = "medium-confidence"

const PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubilityHighRisk PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility = "high-risk"

Error any

Smiles string

Echoed SMILES from the request.

Status Succeeded

ExternalID stringOptional

Client-provided molecule identifier, if one was supplied.

type PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeFailed struct{…}

ID string

Internally generated molecule identifier.

Adme any

Error PredictionAdmeGetResponseOutputMoleculeAdmeMoleculeFailedError

Code string

Machine-readable error code

Message string

Human-readable error message

Details anyOptional

Additional field-level error details keyed by input path, when available.

Smiles string

Echoed SMILES from the request.

Status Failed

ExternalID stringOptional

Client-provided molecule identifier, if one was supplied.

StartedAt Time

formatdate-time

Status PredictionAdmeGetResponseStatus

One of the following:

const PredictionAdmeGetResponseStatusPending PredictionAdmeGetResponseStatus = "pending"

const PredictionAdmeGetResponseStatusRunning PredictionAdmeGetResponseStatus = "running"

const PredictionAdmeGetResponseStatusSucceeded PredictionAdmeGetResponseStatus = "succeeded"

const PredictionAdmeGetResponseStatusFailed PredictionAdmeGetResponseStatus = "failed"

Version string

Model version used for prediction

WorkspaceID string

Workspace ID

IdempotencyKey stringOptional

Client-provided idempotency key

Retrieve an ADME prediction

Go

HTTP

TypeScript

Python

Go

CLI Tool

package main

import (
  "context"
  "fmt"

  "github.com/boltz-bio/boltz-api-go"
  "github.com/boltz-bio/boltz-api-go/option"
)

func main() {
  client := boltzapi.NewClient(
    option.WithAPIKey("My API Key"),
  )
  adme, err := client.Predictions.Adme.Get(
    context.TODO(),
    "id",
    boltzapi.PredictionAdmeGetParams{

    },
  )
  if err != nil {
    panic(err.Error())
  }
  fmt.Printf("%+v\n", adme.ID)
}

200 example

{
  "id": "id",
  "completed_at": "2019-12-27T18:11:19.117Z",
  "created_at": "2019-12-27T18:11:19.117Z",
  "data_deleted_at": "2019-12-27T18:11:19.117Z",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "expires_at": "2019-12-27T18:11:19.117Z",
  "input": {
    "molecules": [
      {
        "smiles": "x",
        "id": "x"
      }
    ]
  },
  "livemode": true,
  "model": "adme-v1",
  "output": {
    "molecules": [
      {
        "id": "id",
        "adme": {
          "lipophilicity": 0,
          "permeability": 0,
          "solubility": "high-confidence"
        },
        "error": null,
        "smiles": "smiles",
        "status": "succeeded",
        "external_id": "external_id"
      }
    ]
  },
  "started_at": "2019-12-27T18:11:19.117Z",
  "status": "pending",
  "version": "version",
  "workspace_id": "workspace_id",
  "idempotency_key": "idempotency_key"
}

Returns Examples

200 example

{
  "id": "id",
  "completed_at": "2019-12-27T18:11:19.117Z",
  "created_at": "2019-12-27T18:11:19.117Z",
  "data_deleted_at": "2019-12-27T18:11:19.117Z",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "expires_at": "2019-12-27T18:11:19.117Z",
  "input": {
    "molecules": [
      {
        "smiles": "x",
        "id": "x"
      }
    ]
  },
  "livemode": true,
  "model": "adme-v1",
  "output": {
    "molecules": [
      {
        "id": "id",
        "adme": {
          "lipophilicity": 0,
          "permeability": 0,
          "solubility": "high-confidence"
        },
        "error": null,
        "smiles": "smiles",
        "status": "succeeded",
        "external_id": "external_id"
      }
    ]
  },
  "started_at": "2019-12-27T18:11:19.117Z",
  "status": "pending",
  "version": "version",
  "workspace_id": "workspace_id",
  "idempotency_key": "idempotency_key"
}