ml-tree-similarity

tree-similarity

Compares two spectra using a tree similarity.

Installation

$ npm i ml-tree-similarity

Usage

import { createTree, treeSimilarity } from 'ml-tree-similarity';

const a = {
  x: [1, 2, 3, 4, 5, 6, 7],
  y: [0.3, 0.7, 4, 0.3, 0.2, 5, 0.3],
};
const b = {
  x: [1, 2, 3, 4, 5, 6, 7],
  y: [0.3, 4, 0.7, 0.3, 5, 0.2, 0.3],
};

// create a tree
const options = { from: 1, to: 7 };
const aTree = createTree(a, options);
const bTree = createTree(b, options);

const ans = treeSimilarity(aTree, bTree, options);

API Documentation

This algorithm was based in the following papers:

• A new method for the comparison of 1H NMR predictors based on tree-similarity of spectra
• Fast and shift-insensitive similarity comparisons of NMR using a tree-representation of spectra

License

MIT

Changelog

2.2.0 (2024-02-15)

Features

• migrate to typescript (#19) (6634fd0)