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API Reference
Predictions

Adme

Predict Tier 1 ADME summary values for a batch of small molecules specified by SMILES.

Start an ADME prediction
client.predictions.adme.start(AdmeStartParams { input, model, idempotency_key, workspace_id } body, RequestOptionsoptions?): AdmeStartResponse { id, completed_at, created_at, 12 more }
POST/compute/v1/predictions/adme
List ADME predictions
client.predictions.adme.list(AdmeListParams { after_id, before_id, limit, workspace_id } query?, RequestOptionsoptions?): CursorPage<AdmeListResponse { id, completed_at, created_at, 10 more } >
GET/compute/v1/predictions/adme
Retrieve an ADME prediction
client.predictions.adme.retrieve(stringid, AdmeRetrieveParams { workspace_id } query?, RequestOptionsoptions?): AdmeRetrieveResponse { id, completed_at, created_at, 12 more }
GET/compute/v1/predictions/adme/{id}
Delete ADME prediction data
client.predictions.adme.deleteData(stringid, RequestOptionsoptions?): AdmeDeleteDataResponse { id, data_deleted, data_deleted_at }
POST/compute/v1/predictions/adme/{id}/delete-data
Estimate cost for an ADME prediction
client.predictions.adme.estimateCost(AdmeEstimateCostParams { input, model, idempotency_key, workspace_id } body, RequestOptionsoptions?): AdmeEstimateCostResponse { breakdown, disclaimer, estimated_cost_usd }
POST/compute/v1/predictions/adme/estimate-cost
ModelsExpand Collapse
AdmeStartResponse { id, completed_at, created_at, 12 more }
id: string

Unique prediction identifier

completed_at: string | null
formatdate-time
created_at: string
formatdate-time
data_deleted_at: string | null

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

formatdate-time
error: Error | null

Error details when failed

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

expires_at: string | null

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

formatdate-time
input: Input | null

Prediction input (null if data deleted)

molecules: Array<Molecule>

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?: string

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

minLength1
maxLength128
livemode: boolean

Whether this resource was created with a live API key.

model: "adme-v1"

Model used for prediction

output: Output | null

Prediction output when succeeded

molecules: Array<AdmeMoleculeSucceeded { id, adme, error, 3 more } | AdmeMoleculeFailed { id, adme, error, 3 more } >

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:
AdmeMoleculeSucceeded { id, adme, error, 3 more }
id: string

Internally generated molecule identifier.

adme: Adme { lipophilicity, permeability, solubility }

Tier 1 ADME summary values for this molecule.

lipophilicity: number

Lipophilicity score from the internal LogD prediction.

permeability: number

Permeability score for this molecule.

solubility: "high-confidence" | "medium-confidence" | "high-risk"

Solubility judgement for this molecule.

One of the following:
"high-confidence"
"medium-confidence"
"high-risk"
error: unknown
smiles: string

Echoed SMILES from the request.

status: "succeeded"
external_id?: string

Client-provided molecule identifier, if one was supplied.

AdmeMoleculeFailed { id, adme, error, 3 more }
id: string

Internally generated molecule identifier.

adme: unknown
error: Error { code, message, details }
code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

smiles: string

Echoed SMILES from the request.

status: "failed"
external_id?: string

Client-provided molecule identifier, if one was supplied.

started_at: string | null
formatdate-time
status: "pending" | "running" | "succeeded" | "failed"
One of the following:
"pending"
"running"
"succeeded"
"failed"
version: string

Model version used for prediction

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

AdmeListResponse { id, completed_at, created_at, 10 more }
id: string

Unique prediction identifier

completed_at: string | null
formatdate-time
created_at: string
formatdate-time
data_deleted_at: string | null

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

formatdate-time
error: Error | null

Error details when failed

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

expires_at: string | null

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

formatdate-time
livemode: boolean

Whether this resource was created with a live API key.

model: "adme-v1"

Model used for prediction

started_at: string | null
formatdate-time
status: "pending" | "running" | "succeeded" | "failed"
One of the following:
"pending"
"running"
"succeeded"
"failed"
version: string

Model version used for prediction

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

AdmeRetrieveResponse { id, completed_at, created_at, 12 more }
id: string

Unique prediction identifier

completed_at: string | null
formatdate-time
created_at: string
formatdate-time
data_deleted_at: string | null

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

formatdate-time
error: Error | null

Error details when failed

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

expires_at: string | null

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

formatdate-time
input: Input | null

Prediction input (null if data deleted)

molecules: Array<Molecule>

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?: string

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

minLength1
maxLength128
livemode: boolean

Whether this resource was created with a live API key.

model: "adme-v1"

Model used for prediction

output: Output | null

Prediction output when succeeded

molecules: Array<AdmeMoleculeSucceeded { id, adme, error, 3 more } | AdmeMoleculeFailed { id, adme, error, 3 more } >

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:
AdmeMoleculeSucceeded { id, adme, error, 3 more }
id: string

Internally generated molecule identifier.

adme: Adme { lipophilicity, permeability, solubility }

Tier 1 ADME summary values for this molecule.

lipophilicity: number

Lipophilicity score from the internal LogD prediction.

permeability: number

Permeability score for this molecule.

solubility: "high-confidence" | "medium-confidence" | "high-risk"

Solubility judgement for this molecule.

One of the following:
"high-confidence"
"medium-confidence"
"high-risk"
error: unknown
smiles: string

Echoed SMILES from the request.

status: "succeeded"
external_id?: string

Client-provided molecule identifier, if one was supplied.

AdmeMoleculeFailed { id, adme, error, 3 more }
id: string

Internally generated molecule identifier.

adme: unknown
error: Error { code, message, details }
code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

smiles: string

Echoed SMILES from the request.

status: "failed"
external_id?: string

Client-provided molecule identifier, if one was supplied.

started_at: string | null
formatdate-time
status: "pending" | "running" | "succeeded" | "failed"
One of the following:
"pending"
"running"
"succeeded"
"failed"
version: string

Model version used for prediction

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

AdmeDeleteDataResponse { id, data_deleted, data_deleted_at }
id: string

ID of the resource whose data was deleted

data_deleted: true
data_deleted_at: string

When the data was deleted

formatdate-time
AdmeEstimateCostResponse { breakdown, disclaimer, estimated_cost_usd }

Estimate response with monetary values encoded as decimal strings to preserve precision.

breakdown: Breakdown { application, cost_per_unit_usd, num_units }

Cost breakdown for the billed application.

application: "structure_and_binding" | "small_molecule_design" | "small_molecule_library_screen" | 4 more
One of the following:
"structure_and_binding"
"small_molecule_design"
"small_molecule_library_screen"
"protein_design"
"protein_redesign"
"protein_library_screen"
"adme"
cost_per_unit_usd: string

Estimated cost per displayed unit as a decimal string, rounded up to 4 decimal places. This may include token-size multipliers or generation overhead; estimated_cost_usd is the authoritative total.

num_units: number

Number of billable units in the estimate. The unit depends on the endpoint: samples for structure-and-binding, molecules for ADME, and requested proteins or molecules for design/screen endpoints.

disclaimer: string
estimated_cost_usd: string

Estimated total cost as a decimal string