Yun-De Xiao

Publications by Year

Research Areas

Computational Drug Discovery Methods, Nicotinic Acetylcholine Receptors Study, Analytical Chemistry and Chromatography, Receptor Mechanisms and Signaling, Cholinesterase and Neurodegenerative Diseases

Most-Cited Works

• → Development and Validation of k-Nearest-Neighbor QSPR Models of Metabolic Stability of Drug Candidates(2003)181 cited
• → Quantitative Structure−Activity Relationship Analysis of Functionalized Amino Acid Anticonvulsant Agents Using k Nearest Neighbor and Simulated Annealing PLS Methods(2002)145 cited
• → Combinatorial QSAR Modeling of P-Glycoprotein Substrates(2006)137 cited
• → Antitumor Agents. 213. Modeling of Epipodophyllotoxin Derivatives Using Variable SelectionkNearest Neighbor QSAR Method(2002)88 cited
• → Discovery of (2S,3R)-N-[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a Selective α7 Nicotinic Acetylcholine Receptor Agonist, for the Treatment of Cognitive Disorders(2012)50 cited
• → Supervised Self-Organizing Maps in Drug Discovery. 1. Robust Behavior with Overdetermined Data Sets(2005)45 cited
• → Quantitative structure−pharmacokinetic parameters relationships (QSPKR) analysis of antimicrobial agents in humans using simulated annealing k‐nearest‐neighbor and partial least‐square analysis methods**This paper was presented in part at the Annual Meeting of the American Association of Pharmaceutical Scientists in Toronto in 2003.(2004)42 cited
• → Collision and transport properties of Rg+Cl(2P) and Rg+Cl−(1S) (Rg=Ar, Kr) from ab initio potentials(2001)35 cited
• → Discovery of 3-(5-Chloro-2-furoyl)-3,7-diazabicyclo[3.3.0]octane (TC-6683, AZD1446), a Novel Highly Selective α4β2 Nicotinic Acetylcholine Receptor Agonist for the Treatment of Cognitive Disorders(2012)33 cited
• → Quantitative structure–activity relationships of methotrexate and methotrexate analogues transported by the rat multispecific resistance-associated protein 2 (rMrp2)(2005)28 cited