Your browser doesn't support javascript.
loading
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines.
Lu, Yipin; Anand, Shankara; Shirley, William; Gedeck, Peter; Kelley, Brian P; Skolnik, Suzanne; Rodde, Stephane; Nguyen, Mai; Lindvall, Mika; Jia, Weiping.
Affiliation
  • Lu Y; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
  • Anand S; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
  • Shirley W; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
  • Gedeck P; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
  • Kelley BP; Novartis Institutes for Biomedical Research , 250 Massachusetts Avenue , Cambridge , Massachusetts 02139 , United States.
  • Skolnik S; Novartis Institutes for Biomedical Research , 250 Massachusetts Avenue , Cambridge , Massachusetts 02139 , United States.
  • Rodde S; Novartis Institutes for Biomedical Research , Postfach, CH-4002 Basel , Switzerland.
  • Nguyen M; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
  • Lindvall M; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
  • Jia W; Novartis Institutes for Biomedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States.
J Chem Inf Model ; 59(11): 4706-4719, 2019 11 25.
Article in En | MEDLINE | ID: mdl-31647238
Subject(s)
Fulltext
Print
XML
PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Amines Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2019 Type: Article Affiliation country: United States
Fulltext
Print
XML
PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Amines Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2019 Type: Article Affiliation country: United States