|Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties|
TT Wager, X Hou, PR Verhoest, A Villalobos
ACS chemical neuroscience 1 (6), 435-449, 2010
|Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes|
TT Wager, RY Chandrasekaran, X Hou, MD Troutman, PR Verhoest, ...
ACS chemical neuroscience 1 (6), 420-434, 2010
|Central nervous system multiparameter optimization desirability: application in drug discovery|
TT Wager, X Hou, PR Verhoest, A Villalobos
ACS chemical neuroscience 7 (6), 767-775, 2016
|Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl …|
PR Verhoest, DS Chapin, M Corman, K Fonseca, JF Harms, X Hou, ...
Journal of medicinal chemistry 52 (16), 5188-5196, 2009
|Classification of strange attractors by integers|
GB Mindlin, XJ Hou, HG Solari, R Gilmore, NB Tufillaro
Physical Review Letters 64 (20), 2350, 1990
|Topological analysis of chaotic time series data from the Belousov-Zhabotinskii reaction|
GB Mindlin, HG Solari, MA Natiello, R Gilmore, XJ Hou
Journal of Nonlinear Science 1, 147-173, 1991
|Design and selection parameters to accelerate the discovery of novel central nervous system positron emission tomography (PET) ligands and their application in the development …|
L Zhang, A Villalobos, EM Beck, T Bocan, TA Chappie, L Chen, ...
Journal of medicinal chemistry 56 (11), 4568-4579, 2013
|Current and future roles of artificial intelligence in medicinal chemistry synthesis|
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...
Journal of medicinal chemistry 63 (16), 8667-8682, 2020
|Current landscape of phosphodiesterase 10A (PDE10A) inhibition|
TA Chappie, CJ Helal, X Hou
Journal of medicinal chemistry 55 (17), 7299-7331, 2012
|Structure-based design of novel human Pin1 inhibitors (II)|
L Dong, J Marakovits, X Hou, C Guo, S Greasley, E Dagostino, RA Ferre, ...
Bioorganic & Medicinal Chemistry Letters 20 (7), 2210-2214, 2010
|Structure-based design of novel human Pin1 inhibitors (I)|
C Guo, X Hou, L Dong, E Dagostino, S Greasley, RA Ferre, J Marakovits, ...
Bioorganic & medicinal chemistry letters 19 (19), 5613-5616, 2009
|Molecular transformer unifies reaction prediction and retrosynthesis across pharma chemical space|
Q Yang, V Sresht, P Bolgar, X Hou, JL Klug-McLeod, CR Butler
Chemical communications 55 (81), 12152-12155, 2019
|An efficient algorithm for fast O (N∗ ln (N)) box counting|
XJ Hou, R Gilmore, GB Mindlin, HG Solari
Physics Letters A 151 (1-2), 43-46, 1990
|Design and Discovery of 6-[(3S,4S)-4-Methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one …|
PR Verhoest, KR Fonseca, X Hou, C Proulx-LaFrance, M Corman, ...
Journal of medicinal chemistry 55 (21), 9045-9054, 2012
|Chemoproteomic profiling reveals that cathepsin D off-target activity drives ocular toxicity of β-secretase inhibitors|
AM Zuhl, CE Nolan, MA Brodney, S Niessen, K Atchison, C Houle, ...
Nature communications 7 (1), 13042, 2016
|Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug–drug interactions with a novel series of centrally efficacious BACE1 inhibitors|
MA Brodney, EM Beck, CR Butler, G Barreiro, EF Johnson, D Riddell, ...
Journal of medicinal chemistry 58 (7), 3223-3252, 2015
|Identification of a brain penetrant PDE9A inhibitor utilizing prospective design and chemical enablement as a rapid lead optimization strategy|
PR Verhoest, C Proulx-Lafrance, M Corman, L Chenard, CJ Helal, X Hou, ...
Journal of medicinal chemistry 52 (24), 7946-7949, 2009
|Quantitative assessment of the impact of fluorine substitution on P-glycoprotein (P-gp) mediated efflux, permeability, lipophilicity, and metabolic stability|
M Pettersson, X Hou, M Kuhn, TT Wager, GW Kauffman, PR Verhoest
Journal of medicinal chemistry 59 (11), 5284-5296, 2016
|Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors|
MM Claffey, CJ Helal, PR Verhoest, Z Kang, KS Fors, S Jung, J Zhong, ...
Journal of medicinal chemistry 55 (21), 9055-9068, 2012
|Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead series for the treatment of schizophrenia|
CJ Helal, Z Kang, X Hou, J Pandit, TA Chappie, JM Humphrey, ES Marr, ...
Journal of medicinal chemistry 54 (13), 4536-4547, 2011