Results 51 to 60 of about 103,985 (285)

Bidirectional Molecule Generation with Recurrent Neural Networks [PDF]

Journal of Chemical Information and Modeling, 2020
ISSN:1549 ...
Francesca Grisoni, Michael Moret, Robin Lingwood, Gisbert Schneider   +3 more
openaire   +2 more sources

European Standard Clinical Practice Guideline and EXPeRT Recommendations for the Diagnosis and Management of Gastroenteropancreatic Neuroendocrine Neoplasms in Children and Adolescents

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Pediatric gastroenteropancreatic neuroendocrine neoplasms (GEP‐NENs) are extremely rare and clinically heterogeneous. Management has largely been extrapolated from adult practice. This European Standard Clinical Practice Guideline (ESCP), developed by the EXPeRT network in collaboration with adult NEN experts, provides (adult) evidence ...
Michaela Kuhlen, Calogero Virgone, Antje Redlich, Michael Abele, Ricardo Lopez‐Almaraz, Tal Ben‐Ami, Ewa Bien, Gianni Bisogno, Maja Mazic Cesen, Andrea Ferrari, Malgorzata A. Krawczyk, Yves Reguerre, Dominik T. Schneider, Ines B. Brecht, Charlotte Rigaud, Bilgehan Yalcin, Rainer Claus, Christian Vokuhl, Constantin Lapa, Jörg Fuchs, Segolene Hescot, Thomas Walter, Julien Hadoux, Daniel Orbach   +23 more
wiley   +1 more source

A Fast, Low-Cost and Simple Method for Predicting Atomic/Inter-Atomic Properties by Combining a Low Dimensional Deep Learning Model with a Fragment Based Graph Convolutional Network

Crystals, 2022
Calculations with high accuracy for atomic and inter-atomic properties, such as nuclear magnetic resonance (NMR) spectroscopy and bond dissociation energies (BDEs) are valuable for pharmaceutical molecule structural analysis, drug exploration, and ...
Peng Gao, Zonghang Liu, Jie Zhang, Jia-Ao Wang, Graeme Henkelman   +4 more
doaj   +1 more source

Necessary symmetry conditions for the rotation of light [PDF]

, 2013
Two conditions on symmetries are identified as necessary for a linear scattering system to be able to rotate the linear polarisation of light: Lack of at least one mirror plane of symmetry and electromagnetic duality symmetry.
Fernandez-Corbaton, Ivan, Molina-Terriza, Gabriel, Tischler, Nora, Vidal, Xavier   +3 more
core   +2 more sources

A PRSZT Registry Analysis of Prognostic Factors Influencing Survival and Relapse Rates After Second Allogeneic Hematopoietic Stem Cell Transplantation in Pediatric Acute Lymphoblastic Leukemia

Pediatric Blood &Cancer, EarlyView.
ABSTRACT A second allogeneic (allo‐)hematopoietic stem cell transplantation (HSCT2) is a potential curative option for pediatric patients with acute lymphoblastic leukemia (ALL) following relapse after first allogeneic transplantation (HSCT1), but its efficacy is limited by high relapse rates and transplant‐related toxicity in highly pretreated ...
Ava Momm, Imme Haubitz, Rita Beier, Martin Zimmermann, Andrej Lissat, Peter Bader, Matthias Eyrich, Jan‐Henning Klusmann, Matthias Wölfl, Paul‐Gerhardt Schlegel, Verena Wiegering   +10 more
wiley   +1 more source

Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study

Frontiers in Chemistry
Introduction: The significance of automated drug design using virtual generative models has steadily grown in recent years. While deep learning-driven solutions have received growing attention, only a few modern AI-assisted generative chemistry platforms
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, Maxim Malkov, Olga Mazaleva, Artem Bodunov, Dmitry Bezrukov, Denis Sidorenko, Victor Terentiev, Alex Malyshev, Bogdan Zagribelnyy, Anastasia Korzhenevskaya, Alex Aliper, Alex Zhavoronkov   +13 more
doaj   +1 more source

Triplet-Energy Quenching Functions of Antioxidant Molecules

Antioxidants, 2022
UV-like DNA damage is created in the dark by chemiexcitation, in which UV-activated enzymes generate reactive oxygen and nitrogen species that create a dioxetane on melanin.
Carlos Angelé-Martínez, Leticia Christina Pires Goncalves, Sanjay Premi, Felipe A. Augusto, Meg A. Palmatier, Saroj K. Amar, Douglas E. Brash   +6 more
doaj   +1 more source

Harmonic generation in free molecules [PDF]

Journal of Physics B: Atomic and Molecular Physics, 1980
A molecular theory of harmonic generation in free molecules is developed using the principles of quantum electrodynamics. A Cartesian tensor formalism is employed and emphasis is placed on the rotational average which is required to account for the random molecular orientations in the pump beam.
openaire   +3 more sources

Upacicalcet: A Novel Intravenous Calcimimetic Agent for Patients Undergoing Hemodialysis With Secondary Hyperparathyroidism

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Secondary hyperparathyroidism (SHPT) is a common complication in patients receiving maintenance dialysis, driven by calcium and phosphate metabolism disturbances. Calcimimetics are central to the management of SHPT by enhancing calcium‐sensing receptor sensitivity and reducing parathyroid hormone secretion.
Fumihiko Koiwa, Daisuke Honda, Seigo Akari, Tadao Akizawa   +3 more
wiley   +1 more source

The Possibility of Destruction of Cellular NADPH in the Presence of Free Fe(II) Ion, Arsine, and Other Hazardous Species [PDF]

Research in Molecular Medicine, 2022
Background: As the nicotinamide adenine dinucleotide phosphate (NADPH) is the key natural electron generator of the alive cells, investigation of the possibility of inactivation or even destruction of it by hazardous chemical molecules or ions seems to ...
Seyyed Amir Siadati, Mohammad Ali Ebrahimzadeh, Esmaeil Babazadeh   +2 more
doaj