Carvacrol classical MD simulation set and full trajectories. Want collaborating on this dataset? Give a call at vvchaban@gmail.com. April 1, 2025: added simulations at additional temperature
Table I lists the names of the 309 chemicals selected from the data set of 425 chemicals in Kusk et al. [2], along with the SMILES strings used to calculate their physicochemical properties (log P<
