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  • Publication
  • Apr 29, 2022
Intense bitterness of molecules: Machine learning for expediting drug discovery
Eitan Margulis, et al. Computational and Structural Biotechnology Journal, 2021, 19, 568-576
  • Publication
  • Sep 8, 2015
Computer-Aided Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
Jorgensen, et al. Bioorg. Med. Chem. Lett., 2006, 16, 663-667
  • Publication
  • Sep 8, 2015
QSAR Studies of PC-3 Cell Line Inhibition Activity of TSA and SAHA-like Hydroxamic Acids
Wang, et al. Bioorg. Med. Chem. Lett., 2004, 14, 707-711
  • Publication
  • Sep 8, 2015
Prediction of in vitro metabolic stability of calcitriol analogs by QSAR
Jensen, et al. J. Comput. Aided Mol. Des., 2003, 17, 849-859
  • Publication
  • Sep 8, 2015
Prediction of Drug Solubility from Structure
Jorgensen, et al. Adv. Drug Deliv. Rev., 2002, 54, 355-366
  • Publication
  • Sep 8, 2015
Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water
Duffy, et al. J. Am. Chem. Soc., 2000, 122, 2878-88
  • Publication
  • Sep 8, 2015
A Structure-Based Model for Predicting Serum Albumin Binding
Lexa, et al. PLoS ONE, 2014, 9(4), e93323
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With FEP+, “The Experiment is the Limit.”
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