Results 51 to 60 of about 401,511 (278)
Uncertainty Quantification Using Neural Networks for Molecular Property Prediction
, 2020 Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable time and ...
Barzilay, Regina +4 more
core +1 more source
Applying uncertainty considerations to energy conservation equations [PDF]
, 2007 When applying computer simulation tools in practice uncertainties abound, for example in material properties and boundary conditions. To facilitate the quantification of the effects of uncertainties, the differential, factorial and Monte Carlo methods ...
Clarke +5 more
core +1 more source
Uncertainty quantification in drug design
Drug Discovery Today, 2021 Machine learning and artificial intelligence are increasingly being applied to the drug-design process as a result of the development of novel algorithms, growing access, the falling cost of computation and the development of novel technologies for generating chemically and biologically relevant data.
Lewis H. Mervin +4 more
openaire +2 more sources
Therapeutic Apheresis and Dialysis, EarlyView.ABSTRACT Background Neuromyelitis optica spectrum disorder (NMOSD) is a relapsing autoimmune disease of the central nervous system. High‐dose intravenous methylprednisolone (IVMP) is the standard first‐line therapy for acute attacks, although some patients remain refractory.
Wataru Horiguchi +5 more
wiley +1 more source
Experimental entanglement verification and quantification via uncertainty relations
, 2007 We report on experimental studies on entanglement quantification and verification based on uncertainty relations for systems consisting of two qubits.
Audneaert K. M. R. +11 more
core +1 more source
Multifidelity Uncertainty Propagation via Adaptive Surrogates in Coupled Multidisciplinary Systems [PDF]
, 2018 Fixed point iteration is a common strategy to handle interdisciplinary coupling within a feedback-coupled multidisciplinary analysis. For each coupled analysis, this requires a large number of disciplinary high-fidelity simulations to resolve the ...
Chaudhuri, Anirban +2 more
core +1 more source
Molecular Oncology, EarlyView.Pharmacologic ascorbate (vitamin C) increases ROS, disrupts cellular metabolism, and induces DNA damage in CRPC cells. These effects sensitize tumors to PARP inhibition, producing synergistic growth suppression with olaparib in vitro and significantly delayed tumor progression in vivo. Pyruvate rescue confirms ROS‐dependent activity.
Nicolas Gordon +13 more
wiley +1 more source
Pharmaceuticals, 2023 Molecular Radiation Therapy (MRT) is a valid therapeutic option for a wide range of malignancies, such as neuroendocrine tumors and liver cancers. In its practice, it is generally acknowledged that there is a need to evaluate the influence of different ...
Marco D’Arienzo +7 more
doaj +1 more source
Plecstatin inhibits hepatocellular carcinoma tumorigenesis and invasion through cytolinker plectin
Molecular Oncology, EarlyView.The ruthenium‐based metallodrug plecstatin exerts its anticancer effect in hepatocellular carcinoma (HCC) primarily through selective targeting of plectin. By disrupting plectin‐mediated cytoskeletal organization, plecstatin inhibits anchorage‐dependent growth, cell polarization, and tumor cell dissemination.
Zuzana Outla +10 more
wiley +1 more source
Quantification of emission factor uncertainty [PDF]
Journal of the Air & Waste Management Association, 2012 Emissions factors are important for estimating and characterizing emissions from sources of air pollution. There is no quantitative indication of uncertainty for these emission factors, most factors do not have an adequate data set to compute uncertainty, and it is very difficult to locate the data for those that do.
George, Pouliot +3 more
openaire +2 more sources