molclaw-mol-hydrophobicity-metrics

Compute logP and molar refractivity metrics from SMILES strings.

28|2|Updated Mar 31, 2026
One-click install
npx skills add https://github.com/InternScience/MolClaw --skill molclaw-mol-hydrophobicity-metrics
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: molclaw-mol-hydrophobicity-metrics
Source: https://github.com/InternScience/MolClaw/tree/main/skills/L1_tools/molclaw-mol-hydrophobicity-metrics
Command: npx skills add https://github.com/InternScience/MolClaw --skill molclaw-mol-hydrophobicity-metrics

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Computes hydrophobicity-related molecular descriptors (logP and molar refractivity) for a given list of SMILES strings, enabling rapid cheminformatics assessments.

Core Features & Use Cases

  • Compute per-molecule logP and molar refractivity from SMILES inputs.
  • Accept batch inputs and return structured metrics for downstream analysis.
  • Use Case: Prioritize molecules for optimization based on hydrophobicity profiles.

Quick Start

Invoke calculate_mol_hydrophobicity with a list of SMILES to obtain per-molecule logP and molar refractivity.

Frequently Asked Questions about molclaw-mol-hydrophobicity-metrics

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I calculate logP and molar refractivity from SMILES strings?

You can compute logP and molar refractivity by submitting a list of SMILES strings to the hydrophobicity metrics function, which returns per-molecule structured descriptors for chemoinformatics workflows.

What is logP used for in compound library screening?

logP is a hydrophobicity metric used in compound library screening to prioritize molecules for optimization based on their lipophilicity profiles, enabling drug-like property evaluation during chemoinformatics assessments.

Can I batch process multiple SMILES to get hydrophobicity metrics?

Yes, the hydrophobicity metrics calculator accepts batch SMILES inputs and returns structured per-molecule logP and molar refractivity metrics, enabling downstream analysis for property prediction and compound prioritization workflows.

Does this hydrophobicity calculator require any external chemoinformatics dependencies?

No external dependencies are required to compute hydrophobicity metrics from SMILES strings, as the calculator operates independently to return logP and molar refractivity values for molecular property prediction workflows.

What molecular descriptors are returned for hydrophobicity assessment?

The hydrophobicity assessment returns per-molecule logP and molar refractivity as structured molecular descriptors, providing the core metrics needed for property prediction and compound prioritization in chemoinformatics workflows.