chem_nor 0.5.1

chem_nor: ^0.5.1 copied to clipboard

example/main.dart

import 'package:chem_nor/chem_nor.dart';

void main() async {
  print(ChemNOR.availableModels);
  final finder = ChemNOR(genAiApiKey: "key", model: GeminiModel.gemini2_5Pro);
  dynamic properties = await finder.getCompoundProperties(248);
  print(properties);
  dynamic list = await finder.getSubstructureCids('CC');
  print(list);
  final smiles = await finder.getRelevantSmiles('carboxylic acid compounds');
  print(smiles);
  dynamic chat = await finder.chemist('hello , please educate me about carboxymethyl(trimethyl)ammonium ');
  print(chat);
  dynamic propertie = await finder.findListOfCompoundsJSN('carboxylic acid compounds');
  print(propertie);
  final elements = parseFormula('H2SO4');
  print(elements);
  final iupacName = await generateIupacName('CCO');
  print(iupacName);
  final weight = calculateMolecularWeight('H2O');
  print('Water molecular weight: $weight g/mol');
  final oxygen = PeriodicTable.getBySymbol('O');
  print('Oxygen: atomic number ${oxygen?.atomicNumber}, mass ${oxygen?.atomicMass}');
  final metals = PeriodicTable.getByCategory('transition metal');
  print('Number of transition metals: ${metals.length}');
  final balanced = ReactionBalancer.balance('H2 + O2 = H2O');
  print(balanced);
  final safetyInfo = await getSafetyData('acetone');
  print('Signal word: ${safetyInfo['signal_word']}');
  print('Hazard statements: ${safetyInfo['hazard_statements']}');
  final structure = parseSmiles('CCO');
  print(structure);
  final isValid = isSmilesValid('C1=CC=CC=C1');
  print('Is benzene SMILES valid? $isValid');
  final nmrData = await simulateProtonNmr('CCO');
  print(nmrData['summary']);
  final irData = await simulateIrSpectrum('CCO');
  print('IR bands: ${irData['bands'].length}');
  final url = drawMolecule('CCO');
  print('Molecule visualization URL: $url');
}