Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Jasmine Vy Tran"'
Publikováno v:
Journal of Computer-Aided Molecular Design. 36:687-705
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::219361713080d17fe4d1a8a4b1cb2d79
https://doi.org/10.1007/s10822-022-00474-1
https://doi.org/10.1007/s10822-022-00474-1
Publikováno v:
Journal of computer-aided molecular design. 36(9)
Blind predictions of octanol/water partition coefficients and pKa at 298.15 K for 22 drug-like compounds were made for the SAMPL7 challenge. Octanol/water partition coefficients were predicted from solvation free energies computed using electronic st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::2f749755d96589948375cc94dd9bf7ef
https://pubmed.ncbi.nlm.nih.gov/36117236
https://pubmed.ncbi.nlm.nih.gov/36117236