Results 41 to 50 of about 822,180 (287)
Computer Aided Aroma Design. II. Quantitative structure-odour relationship [PDF]
, 2008 Computer Aided Aroma Design (CAAD) is likely to become a hot issue as the REACH EC document targets many aroma compounds to require substitution. The two crucial steps in CAMD are the generation of candidate molecules and the estimation of properties ...
Floquet, Pascal +5 more
core +2 more sources
Chemical Engineering Journal AdvancesThe performance prediction and rational design of energetic molecules (EMs) remain central challenges in their development. Traditional experimental methods are constrained by prohibitively high costs and inherent safety risks, highlighting the urgent ...
Mingchi Gao +5 more
doaj +1 more source
Artificial Intelligence in Drug Design
Molecules, 2018 Artificial Intelligence (AI) plays a pivotal role in drug discovery. In particular artificial neural networks such as deep neural networks or recurrent networks drive this area.
Gerhard Hessler, Karl-Heinz Baringhaus
doaj +1 more source
Minimum total irregularity index of tricyclic graphs
Kuwait Journal of Science, 2023 The quantitative characterization of the topological structures of irregular graphs has been demonstrated through several irregularity measures. In the literature, not only different chemical and physical properties can be well comprehended but also ...
Hassan Ahmed, Akhlaq Ahmad Bhatti
doaj +1 more source
The origin of fine scale acoustic stratigraphy in deep-sea carbonates [PDF]
, 1979 In this paper we investigate the origin and geologic significance of the closely spaced high-frequency subbottom acoustic reflectors characteristic of pelagic carbonates.
Mayer, Larry A.
core +2 more sources
Pediatric Blood &Cancer, EarlyView.ABSTRACT End‐of‐life conversations with adolescents and young adults (AYAs) with cancer rarely occur without the guidance of healthcare professionals. As a part of the ‘Difficult Discussions’ study, focused on palliative care and advance care planning discussions with AYAs with cancer, we investigated the factors that healthcare professionals identify ...
Justine Lee +9 more
wiley +1 more source
Mapping the evolution of mitochondrial complex I through structural variation
FEBS Letters, EarlyView.Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin +2 more
wiley +1 more source
Results in Chemistry, 2022 Quartz crystal resonators coated with gas-sorptive films were characterized by analyzing their structures and their organic gas-sorption behaviors, which were then studied using statistics and computational molecular simulations.
Iwao Sugimoto +2 more
doaj +1 more source
A practical overview of quantitative structure-activity relationship [PDF]
, 2009 Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of predictive models of biological activities as a function of structural and molecular information of a compound library.
Isarankura-Na-Ayudhya, Chartchalerm +3 more
core
Potential therapeutic targeting of BKCa channels in glioblastoma treatment
Molecular Oncology, EarlyView.This review summarizes current insights into the role of BKCa and mitoBKCa channels in glioblastoma biology, their potential classification as oncochannels, and the emerging pharmacological strategies targeting these channels, emphasizing the translational challenges in developing BKCa‐directed therapies for glioblastoma treatment.
Kamila Maliszewska‐Olejniczak +4 more
wiley +1 more source