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API Reference
Predictions
Adme

Start an ADME prediction

client.Predictions.Adme.Start(ctx, body) (*PredictionAdmeStartResponse, error)
POST/compute/v1/predictions/adme

Submit a prediction job that returns Tier 1 ADME summary values for each requested molecule.

ParametersExpand Collapse
body PredictionAdmeStartParams
Molecules []PredictionAdmeStartParamsInputMolecule

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
Model param.Field[AdmeV1]

Model to use for prediction

const AdmeV1AdmeV1 AdmeV1 = "adme-v1"
IdempotencyKey param.Field[string]Optional

Client-provided key to prevent duplicate submissions on retries

maxLength255
WorkspaceID param.Field[string]Optional

Target workspace ID (admin keys only; ignored for workspace keys)

ReturnsExpand Collapse
type PredictionAdmeStartResponse 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 PredictionAdmeStartResponseError

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 PredictionAdmeStartResponseInput

Prediction input (null if data deleted)

Molecules []PredictionAdmeStartResponseInputMolecule

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 PredictionAdmeStartResponseOutput

Prediction output when succeeded

Molecules []PredictionAdmeStartResponseOutputMoleculeUnion

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 PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceeded struct{…}
ID string

Internally generated molecule identifier.

Adme PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdme

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 PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility

Solubility judgement for this molecule.

One of the following:
const PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubilityHighConfidence PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility = "high-confidence"
const PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubilityMediumConfidence PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility = "medium-confidence"
const PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubilityHighRisk PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeSucceededAdmeSolubility = "high-risk"
Error any
Smiles string

Echoed SMILES from the request.

Status Succeeded
ExternalID stringOptional

Client-provided molecule identifier, if one was supplied.

type PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeFailed struct{…}
ID string

Internally generated molecule identifier.

Adme any
Error PredictionAdmeStartResponseOutputMoleculeAdmeMoleculeFailedError
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 PredictionAdmeStartResponseStatus
One of the following:
const PredictionAdmeStartResponseStatusPending PredictionAdmeStartResponseStatus = "pending"
const PredictionAdmeStartResponseStatusRunning PredictionAdmeStartResponseStatus = "running"
const PredictionAdmeStartResponseStatusSucceeded PredictionAdmeStartResponseStatus = "succeeded"
const PredictionAdmeStartResponseStatusFailed PredictionAdmeStartResponseStatus = "failed"
Version string

Model version used for prediction

WorkspaceID string

Workspace ID

IdempotencyKey stringOptional

Client-provided idempotency key

Start an ADME prediction

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"),
  )
  response, err := client.Predictions.Adme.Start(context.TODO(), boltzapi.PredictionAdmeStartParams{
    Input: boltzapi.PredictionAdmeStartParamsInput{
      Molecules: []boltzapi.PredictionAdmeStartParamsInputMolecule{boltzapi.PredictionAdmeStartParamsInputMolecule{
        Smiles: "x",
      }},
    },
    Model: "adme-v1",
  })
  if err != nil {
    panic(err.Error())
  }
  fmt.Printf("%+v\n", response.ID)
}

{
  "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
{
  "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"
}