Tutorial

Quick Start Guide

This page explains how to use iDrug step by step. Each section below includes a dedicated image slot so you can later replace placeholders with your own screenshots, workflow diagrams, or interface captures.

Overview

Platform Overview

iDrug integrates personalized recommendation, multi-scenario prediction, structure exploration, data browsing, and user history management into one workflow-oriented platform. This opening block is suitable for a full-page overview screenshot or a compact workflow diagram.

  1. Use Recommend for patient-aware drug reranking.
  2. Use Models for task-based prediction workflows.
  3. Use Explore for drug, protein, and complex lookup.
  4. Use Data and Profile for browsing and record management.
Platform overview
Recommended content: homepage overview, overall workflow diagram, or a dashboard-style screenshot covering the major platform modules.
Recommend

Personalized Recommendation

This workflow combines drug SMILES, protein sequence, and patient profile inputs to produce patient-oriented recommendation results. It is the most suitable place to show both the input interface and the final recommendation output.

  1. Enter drug SMILES and protein sequence.
  2. Complete age, sex, disease history, allergy history, and insurance preference.
  3. Run the workflow and review recommendation reasons.
  4. Observe the difference between raw model score and final recommendation logic.
Recommend input
Suggested content: input form showing SMILES, protein sequence, and the five required personalization fields.
Recommend result
Suggested content: final recommendation table or result page with ranking, status, raw score, and recommendation reason.
Models

Prediction Models

This module supports multiple DTI-related tasks, including drug repositioning, novel target screening, new drug evaluation, and affinity prediction. It is ideal for showing the task selection area together with a representative result panel.

  1. Select one of the four prediction tasks.
  2. Provide SMILES and protein sequence inputs.
  3. Run the selected workflow.
  4. Review the raw score and prediction result returned by the current task.
Models task selection
Suggested content: the task card area with one task selected and the corresponding input panel visible.
Models result
Suggested content: a result example showing task, status, raw score, and the returned first-item record.
Explore

Structure Exploration

The Explore page supports compound lookup, protein lookup, and local-first complex query with 3D visualization. This section works best when several screenshots are shown together to illustrate the breadth of the exploration module.

  1. Use drug lookup for CID and structure-level exploration.
  2. Use protein lookup for sequence and metadata review.
  3. Use complex query for local-first retrieval and complex rendering.
  4. Interact with the 3D viewer to inspect ligand-focused complex structures.
Drug query
Suggested content: drug structure query input and the returned structure information card.
Protein query
Suggested content: protein query panel showing PDB lookup and returned sequence or metadata.
Complex 3D query
Suggested content: complex query block, ligand-focused 3D viewer, and the associated complex metadata panel.
Data

Data Browser

The Data page summarizes local datasets and external reference sources. It is suitable for one screenshot that shows the left-side category navigation and the right-side data preview table.

  1. Browse local drug, protein, and personalization datasets.
  2. View disease and allergy dictionaries.
  3. Inspect external reference source summaries.
Data browser
Suggested content: one screenshot covering the left navigation, category switch, and table preview area.
Profile

User Profile and Saved Results

The Profile module helps users review saved recommendation records, reopen result details, and remove outdated entries. It is well suited to a pair of screenshots showing the list page and the detail page.

  1. Open the profile page to review saved history.
  2. Open a saved result for detailed inspection.
  3. Delete outdated records when needed.
Profile saved list
Suggested content: the profile page or saved-result list showing multiple historical records.
Profile detail
Suggested content: a result detail page showing ranking output and detail operations.
Quick Start

Suggested Demo Sequence

This final block can remain text-only. It provides a concise order for platform demonstration or oral presentation.

1

Open Home

Introduce the platform and briefly explain the functional modules.

2

Run Recommend

Show patient-aware recommendation and explain the output fields.

3

Run Models

Demonstrate one or two prediction tasks and compare raw scores.

4

Show Explore + Data

End with structure exploration, complex rendering, and dataset browsing.