This document serves as supporting information for the article titled "Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start." It includes the setups and raw results of all case stud
New ionic liquids (ILs) for extractive removal of organic sulfur compounds from gasoline are proposed following the results of computer-aided molecular design (CAMD), comprising application of the ext
Macromolecular structures resolved by X-ray crystallography are essential for life science research. While some methods exist to automatically quantify the quality of the electron density fit, none of
