相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Synthesis, in vitro cytotoxicity,ADME,and molecular docking studies of benzimidazole-bearing furanone derivatives
Asif Husain et al.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY (2021)
Synthesis, antimicrobial screening, and docking study of new 2-(2-ethylpyridin-4-yl)-4-methyl-N-phenylthiazole-5-carboxamide derivatives
Sanghratna L. Kasare et al.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY (2021)
Applications of water molecules for analysis of macromolecule properties
Karolina Mitusinska et al.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2020)
QSAR Modeling and Drug-Likeness Screening for Antioxidant Activity of Benzofuran Derivatives
S. Boudergua et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Virtual screening in drug-likeness and structure/activity relationship of pyridazine derivatives as Anti-Alzheimer drugs
Anfel Zerroug et al.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE (2019)
AChE Inhibition-based Multi-target-directed Ligands, a Novel Pharmacological Approach for the Symptomatic and Disease-modifying Therapy of Alzheimer's Disease
Yu Wang et al.
CURRENT NEUROPHARMACOLOGY (2016)
Water, water, everywhere ... It's time to stop and think
Michael S. Bodnarchuk
DRUG DISCOVERY TODAY (2016)
Current and novel therapeutic molecules and targets in Alzheimer's disease
Ashwini Kumar et al.
JOURNAL OF THE FORMOSAN MEDICAL ASSOCIATION (2016)
On a simple approach for determining applicability domain of QSAR models
Kunal Roy et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2015)
Innate immunity in Alzheimer's disease
Michael T. Heneka et al.
NATURE IMMUNOLOGY (2015)
Donepezil: An Important Prototype to the Design of New Drug Candidates for Alzheimer's Disease
Maria Cecilia Rodrigues Simoes et al.
MINI-REVIEWS IN MEDICINAL CHEMISTRY (2014)
Insights and Ideas Garnered from Marine Metabolites for Development of Dual- Function Acetylcholinesterase and Amyloid-β Aggregation Inhibitors
Shana V. Stoddard et al.
MARINE DRUGS (2014)
Computational neural network analysis of the affinity of 2-pyridyl-3,5-diaryl pyrroles analogs for the human glucagon receptor using density functional theory
Mohsen Shahlaei et al.
MEDICINAL CHEMISTRY RESEARCH (2014)
Structure-Based Search for New Inhibitors of Cholinesterases
Marek Bajda et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2013)
Comparative Studies on Some Metrics for External Validation of QSPR Models
Kunal Roy et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Structures of Human Acetylcholinesterase in Complex with Pharmacologically Important Ligands
Jonah Cheung et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2012)
On Various Metrics Used for Validation of Predictive QSAR Models with Applications in Virtual Screening and Focused Library Design
Kunal Roy et al.
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING (2011)
Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient
Nicola Chirico et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Revisiting the cholinergic in the development of Alzheimer's disease
Laura A. Craig et al.
NEUROSCIENCE AND BIOBEHAVIORAL REVIEWS (2011)
Interactions of AChE with A beta aggregates in Alzheimer's brain: therapeutic relevance of IDN 5706
Francisco J. Carvajal et al.
FRONTIERS IN MOLECULAR NEUROSCIENCE (2011)
Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties
Travis T. Wager et al.
ACS CHEMICAL NEUROSCIENCE (2010)
On further application of r(m)(2) as a metric for validation of QSAR models
Indrani Mitra et al.
JOURNAL OF CHEMOMETRICS (2010)
Best Practices for QSAR Model Development, Validation, and Exploitation
Alexander Tropsha
MOLECULAR INFORMATICS (2010)
On Two Novel Parameters for Validation of Predictive QSAR Models
Partha Pratim Roy et al.
MOLECULES (2009)
The Structure-AChE Inhibitory Activity Relationships Study in a Series of Pyridazine Analogues
M. Saracoglu et al.
MEDICINAL CHEMISTRY (2009)
y-Randomization and its variants in QSPR/QSAR
Christoph Ruecker et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Validation studies of the site-directed docking program LibDock
Shashidhar N. Rao et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Principles of QSAR models validation: internal and external
Paola Gramatica
QSAR & COMBINATORIAL SCIENCE (2007)
Similarity-based virtual screening using 2D fingerprints
Peter Willett
DRUG DISCOVERY TODAY (2006)
Scoring functions for protein-ligand docking
Ajay N. Jain
CURRENT PROTEIN & PEPTIDE SCIENCE (2006)
QSAR modeling of mono- and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release
F Zheng et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2006)
QSAR applicability domain estimation by projection of the training set in descriptor space: A review
J Jaworska et al.
ATLA-ALTERNATIVES TO LABORATORY ANIMALS (2005)
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs
L Eriksson et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2003)
The importance of being earnest: Validation is the absolute essential for successful application and interpretation of QSPR models
A Tropsha et al.
QSAR & COMBINATORIAL SCIENCE (2003)
Design, synthesis, and structure-activity relationships of a series of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazine derivatives as acetylcholinesterase inhibitors
JM Contreras et al.
JOURNAL OF MEDICINAL CHEMISTRY (2001)
On neurodegenerative diseases, models, and treatment strategies: Lessons learned and lessons forgotten a generation following the cholinergic hypothesis
RT Bartus
EXPERIMENTAL NEUROLOGY (2000)
分享论文
