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retrosynthesis

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Plan multi-step syntheses and assess synthetic feasibility.

#cheminformatics#molecule design#retrosynthesis#synthetic planning#synthesis feasibility
Authorpradyumnasagar
Version1.0.0
Installs0

System Documentation

What problem does it solve?

This Skill helps researchers plan complex syntheses and assess the feasibility of molecules using various retrosynthetic planning tools.

Core Features & Use Cases

  • Retrosynthetic Planning: Utilizes AiZynthFinder, Chemformer, ASKCOS, and RetroSynFormer for retrosynthetic analysis.
  • Synthetic Feasibility: Evaluates the synthetic feasibility of molecules and plans multi-step syntheses.
  • Design Pipelines: Builds synthesis-aware design pipelines for compound generation.
  • Library Screening: Screens libraries for retro-route feasibility.
  • Use Case: When you need to determine the best synthetic route for a target molecule or plan a synthesis for a complex molecule.

Quick Start

Load the retrosynthesis skill to plan a synthesis for the target molecule 'CC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1'.

Dependency Matrix

Required Modules

aizynthfinderchemformerrdkitrdchiralaizynthtrainaskcosmolecular_transformer

Components

scriptsreferences

💻 Claude Code Installation

Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.

Please help me install this Skill:
Name: retrosynthesis
Download link: https://github.com/pradyumnasagar/open-research-skills/archive/main.zip#retrosynthesis

Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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