A5059618342- Computational Drug Discovery Methods
- Power Line Communications and Noise
- PAPR reduction in OFDM
- Machine Learning in Materials Science
- Heat Transfer and Boiling Studies
- Malaria Research and Control
- Advanced Wireless Communication Techniques
- Fluid Dynamics and Mixing
- Spacecraft and Cryogenic Technologies
- Ultrasound and Hyperthermia Applications
- Skin Protection and Aging
- Ovarian cancer diagnosis and treatment
- Plant biochemistry and biosynthesis
- Advancements in Transdermal Drug Delivery
- Protein Structure and Dynamics
- Advanced MIMO Systems Optimization
- Metabolomics and Mass Spectrometry Studies
- Microbial Natural Products and Biosynthesis
- Innovative Microfluidic and Catalytic Techniques Innovation
- Carcinogens and Genotoxicity Assessment
- Chemistry and Chemical Engineering
- Advanced Wireless Network Optimization
- Computational and Text Analysis Methods
- Analytical Chemistry and Chromatography
- graph theory and CDMA systems
The University of Sydney
2020-2024
University of Toronto
1994-2006
Tufts University
1990
Tufts Medical Center
1990
Villanova University
1975
The design and optimization of multicarrier communications systems often involve a maximization the total throughput subject to system resource constraints. problem is numerically difficult solve when does not have convexity structure. This paper makes progress toward solving problems this type by showing that under certain condition called time-sharing condition, duality gap always zero, regardless objective function. Further, we show satisfied for practical multiuser spectrum in limit as...
The design and optimization of orthogonal frequency division multiplex (OFDM) systems typically take the following form. objective is to maximize total data rate which sum individual rates in each tone. constraints are usually linear imposed across all tones. paper shows that, regardless whether convex, duality gap for this class problems always zero limit as number tones goes infinity. As dual problem decouples into many smaller per-tone problems, solving much more efficient. This...
This paper investigates the multiuser spectrum optimization problem for digital subscriber lines. We propose an iterative and low-complexity technique that improves upon recently proposed optimal balancing (OSB) algorithm. In algorithm, Lagrange multipliers are used to decouple constrained into a series of per-tone unconstrained optimisation problems. However, each still has computational complexity is exponential in number users. proposes algorithm further reduce balancing. The essential...
The prediction of Ames mutagenicity continues to be a concern in both regulatory and pharmacological toxicology. Traditional quantitative structure-activity relationship (QSAR) models make predictions based on molecular descriptors calculated chemical data set used their training. However, it is known that molecules such as aromatic amines can non-mutagenic themselves but metabolically activated by S9 rodent liver enzyme tests forming iminoquinones or amine substituents better stabilize...
Quantitative structure-activity relationship (QSAR) models are powerful in silico tools for predicting the mutagenicity of unstable compounds, impurities and metabolites that difficult to examine using Ames test. Ideally, Ames/QSAR regulatory use should demonstrate high sensitivity, low false-negative rate wide coverage chemical space. To promote superior model development, Division Genetics Mutagenesis, National Institute Health Sciences, Japan (DGM/NIHS), conducted Second International...
The Ames test is a gold standard mutagenicity assay that utilizes various Salmonella typhimurium strains with and without S9 fraction to provide insights into the mechanisms by which chemical can mutate DNA. Multitask deep learning an ideal framework for developing QSAR models multiple end points, such as test, joint training of predictive tasks may synergistically improve prediction accuracy each task. This work investigated how toxicology domain knowledge be used handcraft task groupings...
The Open Source Malaria (OSM) consortium is developing compounds that kill the human malaria parasite, Plasmodium falciparum, by targeting PfATP4, an essential ion pump on parasite surface. structure of PfATP4 has not been determined. Here, we describe a public competition created to develop predictive model for identification inhibitors, thereby reducing project costs associated with synthesis inactive compounds. Competition participants could see all entries as they were submitted. In...
Quantitative Structure Activity Relationship modelling methodologies need to incorporate relevant mechanistic information have high predictive performance and validity. Electrophilic reactivity is a common feature of skin sensitization endpoints which could be concisely characterized with electronic descriptors key enabling the small datasets in this domain. However, quantum mechanical previously featured computational costs would exclude use large datasets. Consequently, we investigate...
Artificial intelligence (AI) is rising rapidly, driven by big data, complex algorithms, and computing resources. Current research presented at the American Chemical Society Fall 2023 Meeting demonstrates AI to be a valuable predictive supporting tool across all facets of toxicology.
<p>The discovery of new antimalarial medicines with novel mechanisms action is key to combating the problem increasing resistance our frontline treatments. The Open Source Malaria (OSM) consortium has been developing compounds ("Series 4") that have potent activity against <i>Plasmodium falciparum</i> <i>in vitro</i> and vivo</i> suggested act through inhibition <i>Pf</i>ATP4, an essential membrane ion pump regulates parasite’s intracellular...
The discovery of new antimalarial medicines with novel mechanisms action is key to combating the problem increasing resistance our frontline treatments. Open Source Malaria (OSM) consortium has been developing compounds ("Series 4") that have potent activity against Plasmodium falciparum in vitro and vivo suggested act through inhibition Pf ATP4, an essential membrane ion pump regulates parasite’s intracellular Na + concentration. structure ATP4 yet be determined. In absence structural...