Molecular Representations for Machine Learning

Download or read book Molecular Representations for Machine Learning written by Grier M. Jones and published by American Chemical Society. This book was released on 2023-05-19 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: This primer helps the reader understand the basic categories of molecular representations and provides computational tools to generate molecular descriptors in each of these categories. After reading this primer, you will be able to use various methods to generate machine and/or human interpretable representations of molecular systems for inputs to machine learning models or for general chemical data science applications.