Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Crossref DOI link: https://doi.org/10.1007/s10822-021-00427-0
Published Online: 2021-10-29
Published Print: 2021-11
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Bahr, Matthew N.
Nandkeolyar, Aakankschit
Kenna, John K.
Nevins, Neysa
Da Vià, Luigi
Işık, Mehtap
Chodera, John D.
Mobley, David L.
Text and Data Mining valid from 2021-10-29
Version of Record valid from 2021-10-29
Article History
Received: 16 June 2021
Accepted: 13 October 2021
First Online: 29 October 2021