A5086689344- Computational Drug Discovery Methods
- Machine Learning in Healthcare
- Opioid Use Disorder Treatment
- Machine Learning in Materials Science
- Advanced Polymer Synthesis and Characterization
- Artificial Intelligence in Healthcare
- Pharmacogenetics and Drug Metabolism
- Photopolymerization techniques and applications
- Mesoporous Materials and Catalysis
- Pain Management and Opioid Use
- Pharmaceutical Practices and Patient Outcomes
- Biomedical Text Mining and Ontologies
- Pickering emulsions and particle stabilization
- Poisoning and overdose treatments
- Surface Modification and Superhydrophobicity
- Chromatography in Natural Products
- Surfactants and Colloidal Systems
- Chemistry and Chemical Engineering
- Substance Abuse Treatment and Outcomes
- Protein Structure and Dynamics
- Rough Sets and Fuzzy Logic
- Electrochemical sensors and biosensors
- Zeolite Catalysis and Synthesis
- Image Retrieval and Classification Techniques
- Nanoparticle-Based Drug Delivery
Zhengzhou University
2023
Stony Brook University
2019-2023
Stony Brook School
2020-2021
State University of New York
2020
Chinese University of Hong Kong
2016-2018
Beijing University of Chemical Technology
1994-2018
Ministry of Education of the People's Republic of China
2004-2005
Artificial intelligence (AI) has been widely applied in drug discovery with a major task as molecular property prediction. Despite booming techniques representation learning, key elements underlying prediction remain largely unexplored, which impedes further advancements this field. Herein, we conduct an extensive evaluation of representative models using various representations on the MoleculeNet datasets, suite opioids-related datasets and two additional activity from literature. To...
An effective, value-added use of the large amounts olefinic compounds produced in processing petroleum, aside from ethylene and propylene, has been a long outstanding challenge. Here, we developed novel heterogeneous polymerization method, beyond emulsion/dispersion/suspension, termed self-stabilized precipitation (2SP) polymerization, which involves nucleation growth nanoparticles (NPs) well-defined size without any stabilizers multifunctional monomers (crosslinker). This technique leads to...
Abstract Summary: Three‐dimensional polyaniline (PANI) nanowire networks were synthesized in high yield using a “soft template” self‐assembled with hexadecyltrimethylammonium bromide and oxalic acid. The PANI had diameters from 35–100 nm depending on synthesis conditions and/or procedures. the “cross‐linking points” clearly observed by field‐emission scanning electron microscopy transmission microscopy. A possible mechanism for formation of three‐dimensional is discussed. FESEM image...
The United States is experiencing an opioid epidemic. In recent years, there were more than 10 million misusers aged 12 years or older annually. Identifying patients at high risk of use disorder (OUD) can help to make early clinical interventions reduce the OUD. Our goal develop and evaluate models predict OUD for on medications using electronic health records deep learning methods. resulting us better understand OUD, providing new insights Further, these provide a foundation tools before it...
The use of color in QR codes brings extra data capacity, but also inflicts tremendous challenges on the decoding process due to chromatic distortion, cross-channel interference and illumination variation. Particularly, we further discover a new type distortion high-density codes, cross-module interference, caused by high density which makes geometric correction more challenging. To address these problems, propose two approaches, namely, LSVM-CMI QDA-CMI, jointly model different types...
Carbon nanotube (CNT)-supported ultrafine Ru nanoclusters with adjusted interfacial effects by N-doped carbon (Ru/CNT@CN) were synthesized a facile 'impregnation–freeze-drying–thermal reduction' process. The introduced not only increased the dispersity of formed (ultrafine average diameter about 1.12 nm) but also contributed to obvious electronic transfer from species carbon-based supports (CNT@CN). Profiting these effects, Ru/CNT@CN exhibited an excellent turnover frequency (TOF) 643.6...
This article reports on a new sequential strategy to fabricate monolayer functional organosilane films inorganic substrate surfaces, and subsequently, pattern them by two photochemical reactions. (1) By using UV light (254 nm) plus dimethylformamide (DMF), silane film could be fabricated quickly (within minutes) under ambient temperature. (2) The organic groups of the formed became decomposed in few minutes with irradiation coupled water solution ammonium persulfate (APS). (3) When reactions...
Poly(divinylbenzene-alt-maleic anhydride) nanoparticles with a narrow distribution and diameter of 30 nm act as novel stabilizers in the Pickering emulsion polymerization styrene. The hydrolyzed PDMNPs NaHCO3 aqueous solution exhibited very effective emulsification performance remarkably high efficiency. Raspberry-like PDMNPs/PS composite polymer particles have been successfully fabricated via copolymerization pendant vinyl groups
Naloxone, an opioid antagonist, has been widely used to save lives from overdose, a leading cause for death in the epidemic. However, naloxone short brain retention ability, which limits its therapeutic efficacy. Developing better antagonists is critical combating epidemic.Instead of exhaustively searching huge chemical space antagonists, we adopt reinforcement learning allows efficient gradient-based search towards molecules with desired physicochemical and/or biological properties....
Abstract Summary: It was found that without additional photoinitiator, methyl methacrylate (MMA) dissolved in common solvent N , ‐dimethylformamide (DMF) could be photografted steadily on low‐density polyethylene (LDPE) film surface under UV irradiation. In short irradiation time (4 min) and at room temperature, high grafting efficiency (approaching 100%) remarkable graft polymer amount (grafting percent is about 4.6%) obtained. The possible reaction mechanism based the photosensitivity of...
Background Diabetes affects more than 30 million patients across the United States. With such a large disease burden, even small error in classification can be significant. Currently billing codes, assigned at time of medical encounter, are “gold standard” reflecting actual diseases present an individual, and thus aggregate reflect prevalence population. These codes generated by highly trained coders health care providers but not always accurate. Objective This work provides scalable deep...
A schematic diagram is shown for fabricating macroporous, crosslinked polystyrene monoliths.
Abstract The synthesis of a polymer‐supported inhibitor (PSI) and its inhibition performance for free‐radical polymerization are reported the first time. A special method has been devised to synthesize PSI with pure abundant hydroquinone (HQ) groups anchored onto polymer surface. thin HQ/acetone (AC) solution is sandwiched between two films. Under ultraviolet irradiation, AC as an photoinitiator quickly effectively grafts HQ characterized ultraviolet–visible attenuated total...
The USA is in the midst of an opioid overdose epidemic. To address epidemic, we conducted a large-scale population study on overdose. primary objective this was to evaluate temporal trends and risk factors inpatient Based its patterns, secondary examine innate properties analgesics underlying reduced effects. A retrospective cross-sectional based electronic health records database, Cerner Health Facts®, with (1) inclusion criteria for participants as patients admitted between 1 January, 2009...
Background An agent-based modeling approach has been suggested as an alternative to traditional, equation-based methods for describing oral drug absorption. It enables researchers gain a better understanding of the pharmacokinetic (PK) mechanisms drug. This project demonstrates that biomimetic model can adequately describe absorption and disposition kinetics both midazolam clonazepam. Methods model, in silico tract (ISDAT), was built mimic humans. The consisted distinct spaces, membranes,...
Drug-drug interactions (DDI) can cause severe adverse drug reactions and pose a major challenge to medication therapy. Recently, informatics-based approaches are emerging for DDI studies. In this paper, we aim identify key pharmacological components in based on large-scale data from DrugBank, comprehensive database. With as features, logistic regression is used perform classification with focus searching most predictive process of identifying components. Using univariate feature selection...
Artificial intelligence (AI) has been widely applied in drug discovery with a major task as molecular property prediction. Despite booming techniques representation learning, key elements underlying prediction remain largely unexplored, which impedes further advancements this field. Herein, we conduct an extensive evaluation of representative models using various representations on the MoleculeNet datasets, suite opioids-related datasets and two additional activity from literature. To...