Supported info panes

import Tabs from '@theme/Tabs'; import TabItem from '@theme/TabItem';

Learn about info panes here.

Developers: You can create custom info panes

Tabular data

The following info panes appear by default when working with tabular data. Many advanced info panes come from optional
PowerGrid and PowerPack packages, which we recommend for installation.

Info pane <div style={{ width:500 }}>	Input <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Actions Lists available actions (subject to permissions)	table, column, row, selection, current object	--

Table

Info pane <div style={{ width:620 }}>	Required plugin <div style={{ width:120 }}>
Dev Provides access to documentation, class references, and code snippets for the current object. It also has an editor with template scripts for common actions related to the object Learn more	Power Pack
General Shows basic metadata, such as number of rows, columns, source, etc.	--
Columns Shows all table columns as clickable links, enabling navigation to individual column info panes	--
Models Shows relevant models for your dataset (created by you or shared by others). From here, you can manage or train models	--
History Shows the history of actions performed on the table	--

Column

Info pane <div style={{ width:620 }}>	Required plugin <div style={{ width:120 }}>
Details Shows column properties and summary statistics or distributions for the column's data	--
Filter Quick access to a column's filter	--
Colors Color code a column	PowerGrid
Stats Shows summary statistics for a column	PowerGrid
Permissions Specify who can edit a column	--
Plots Visualizes selected columns for quick profiling	PowerGrid

Row

Info pane <div style={{ width:620 }}>	Required plugin <div style={{ width:120 }}>
Distributions Shows distributions for numerical columns based on selected rows	PowerGrid
Content Shows details for selected rows in a spreadsheet format	PowerGrid

Current object

Info pane <div style={{ width:620 }}>	Required plugin <div style={{ width:120 }}>
Sticky meta Shows metadata for the current object. Learn more	PowerGrid

Domains

Chem

Structure and visualization

Info pane <div style={{ width:500 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
3D Structure Shows an interactive 3D view of the molecule	Molecule	Chem
2D Structure Shows a 2D view of the molecule	Molecule	Chem
Mixture Mixture components and their properties (structure, name, relation, etc.) in a tabular format (can be opened as its own view)	ChemicalMixture	Chem
Mixture Tree Hierarchical visualization of mixture composition (Mixfile format)	ChemicalMixture	Chem
Retrosynthesis The most efficient synthetic pathways and commercially available starting materials for target molecule (based on AiZynthFinder)	Molecule	Retrosynthesis

Properties and descriptors

Info pane <div style={{ width:500 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Gasteiger Partial Charges RDKit-based script	Molecule	Chem
Descriptors The following descriptors are shown by default: FractionCSP3, HeavyAtomCount, NHOHCount. To calculate other descriptors, click the SELECT button and choose from the list	Molecule	Chem
Properties Molecular properties (formula, weight, LogP, etc.)	Molecule	Chem
Identifiers Identifiers (SMILES, InChi, ChEMBL ID, etc.)	Molecule	Chem

ADMET / safety

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Admetica Calculates ADMET. In addition, the Summary info pane visualizes ADMET in a pie chart	Molecule	Admetica
Drug likeness Calculates drug likeness and displays the results	Molecule	Chem
Structural alerts Calculates and displays structural alerts	Molecule	Chem
Toxicity Calculates toxicity and displays the results	Molecule	Chem

Docking and modeling

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
AutoDock Displays docking results for molecules that have undergone AutoDock analysis	Molecule	Docking
DiffDock Provides an interactive interface for running molecular docking using NVIDIA's DiffDock model	Molecule

Data access and lookup

Databases

Depending on the installed plugins, you can search by substructure and/or similarity.

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
ChEMBL	Molecule	ChEMBL or ChEMBL API
DrugBank	Molecule	DrugBank
PubChem	Molecule	PubChem
Chemspace Interface for searching and ordering compounds from Chemspace	Molecule	Chemspace
SureChEMBL Shows patent information for target molecule	Molecule	SureChEMBL

Compound registration systems and ELNs

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
CDD Vault Shows vault data for the current molecule	Molecule	CDD Vault Link

Bio

Properties and composition analysis

Info pane <div style={{ width:500 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Properties Basic properties (formula, molecular weight, extinction coefficient)	Macromolecule	Bio
Composition analysis Shows a visual breakdown of a macromolecule’s monomer composition, showing each monomer’s percentage as colored bars representing relative abundance	Macromolecule	Bio

Molecular properties of macromolecule

This pane is automatically populated with the generated molecule. It provides a quick way to inspect the molecular properties of the macromolecule. Works for macromolecules with up to 50 monomers.

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Molecular structure Shows a 2D view of the macromolecule	Macromolecule	Bio
Molecular 3D structure Interactive 3D visualization of macromolecule	Macromolecule	Bio

Data access and lookup

Databases

Depending on the installed plugins, you can search by substructure and/or similarity.

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
ChEMBL	Molecule	ChEMBL or ChEMBL API
DrugBank	Molecule	DrugBank
PubChem	Molecule	PubChem
Chemspace Interface for searching and ordering compounds from Chemspace	Molecule	Chemspace
SureChEMBL Shows patent information for target molecule	Molecule	SureChEMBL

Compound registration systems and ELNs

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
CDD Vault Shows vault data for the current molecule	Molecule	CDD Vault Link

ADMET / safety

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Admetica Calculates ADMET. In addition, the Summary info pane visualizes ADMET in a pie chart	Molecule	Admetica
Drug likeness Calculates drug likeness and displays the results	Molecule	Chem
Structural alerts Calculates and displays structural alerts	Molecule	Chem
Toxicity Calculates toxicity and displays the results	Molecule	Chem

Docking and modeling

Info pane <div style={{ width:640 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
AutoDock Displays docking results for molecules that have undergone AutoDock analysis	Molecule	Docking
DiffDock Provides an interactive interface for running molecular docking using NVIDIA's DiffDock model	Molecule

Properties and descriptors

Info pane <div style={{ width:500 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
Descriptors The following descriptors are shown by default: FractionCSP3, HeavyAtomCount, NHOHCount. To calculate other descriptors, click the SELECT button and choose from the list	Molecule	Chem
Properties Molecular properties (formula, weight, LogP, etc.)	Molecule	Chem
Identifiers Identifiers (SMILES, InChi, ChEMBL ID, etc.)	Molecule	Chem

Structure and visualization

Info pane <div style={{ width:500 }}>	Semantic type <div style={{ width:120 }}>	Required plugin <div style={{ width:120 }}>
3D Structure Shows an interactive 3D view of the molecule	Molecule	Chem
2D Structure Shows a 2D view of the molecule	Molecule	Chem
Retrosynthesis The most efficient synthetic pathways and commercially available starting materials for target molecule (based on AiZynthFinder)	Molecule	Retrosynthesis

See also

• Data augmentation
• Scripting
• Semantic types