mol - The Small Organic Chemistry Helper
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Updated
Feb 28, 2022 - Python
mol - The Small Organic Chemistry Helper
Theorical yield calculator to acethysalici acid's synthesis
Optimization of organic chemistry catalysts using the coevolution approach
Organic Compound classification using Artificial Neural Network
Mass spectral libraries search tool (MSL-ST), used to enhance organic compounds' identification
Extends the Paper QA package for use with the author's Zotero database papers in organic chemistry, drug discovery & development, cheminformatics and the applications of machine learning to these areas
published organic chemistry data
Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors
Calculate Sterimol Parameters from Sructure Input/Output Files
Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
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