Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge. - Matthew N. Bahr; Aakankschit Nandkeolyar; John K. Kenna; Neysa Nevins; Luigi Da Vià; Mehtap Isik; John D. Chodera; David L. Mobley (J. Comput. Aided Mol. Des., 2021)