Xinjun Hou

Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties

Travis T. Wager, Xinjun Hou, Patrick R. Verhoest et al. · ACS Chemical Neuroscience · 2010 · 1K citations

Pharmaceutical Science, Drug Target, Engineering +22

Central Nervous System Multiparameter Optimization Desirability: Application in Drug Discovery

Travis T. Wager, Xinjun Hou, Patrick R. Verhoest et al. · ACS Chemical Neuroscience · 2016 · 564 citations

Medicinal Chemistry, Drug Target, Computational Neuroscience +15

Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes

Travis T. Wager, Ramalakshmi Y. Chandrasekaran, Xinjun Hou et al. · ACS Chemical Neuroscience · 2010 · 476 citations

Pharmaceutical Science, Vitro Adme, Drug Target +18

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Thomas J. Struble, Juan C. Alvarez, Scott P. Brown et al. · Journal of Medicinal Chemistry · 2020 · 236 citations · Full text

Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1 <i>H</i> -pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia†Coordinates of the PDE10A crystal structures have been deposited in the Protein Data Bank for compound 1 (3HQW), 2 (3HQY), 3 (3HQW) and 9 (3HR1).

Patrick R. Verhoest, Douglas S. Chapin, Michael L. Corman et al. · Journal of Medicinal Chemistry · 2009 · 201 citations · Full text