Results 151 to 160 of about 2,795,372 (389)
New Trends in Virtual Screening [PDF]
Journal of Chemical Information and Modeling, 2019 W. Patrick Walters, Renxiao Wang
openaire +5 more sources
Advanced Materials, EarlyView.This study proposes a transformative approach for fabricating highly dense and thin ceria/zirconia bilayer electrolytes for solid oxide electrochemical cells using microwave‐assisted volumetric sintering at unprecedentedly low temperatures and short processing times, achieving excellent performance and durability.
Hyeongmin Yu +4 more
wiley +1 more source
Genetic programming in data mining for drug discovery [PDF]
, 2004 Genetic programming (GP) is used to extract from rat oral bioavailability (OB) measurements simple, interpretable and predictive QSAR models which both generalise to rats and to marketed drugs in humans. Receiver Operating Characteristics (ROC) curves
Barrett, S.J., Langdon, W.B.
core +2 more sources
Advanced Materials, EarlyView.The nanoscale hybridization of MXene and amorphous metal‐organic framework (MXene–aMOF) achieves exceptional electrochemical stability and ion storage capacity, attributed to the synergistic interplay between the nanoporous surfaces of aMOF and the metal‐like electron conduction of MXene.
Manmatha Mahato +14 more
wiley +1 more source
Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs [PDF]
, 2002 David J. Wilton +3 more
openalex +1 more source
Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. [PDF]
, 2019 We introduce a new method for rapid computation of 3D molecular similarity that combines electrostatic field comparison with comparison of molecular surface-shape and directional hydrogen-bonding preferences (called "eSim").
Cleves, Ann E +2 more
core
Advanced Materials, EarlyView.Colonoscopic continuum robots lack sensing, endangering intestinal tissue. An ideal sensing array is hard to integrate. This work introduces a 3D crosslinked stretchable E‐armor with full‐coverage and multiplexing. It has bimodal sensing, forms a triboelectric synapse, uses CNN‐LSTM, and has a hydrogel and innovative triboelectric materials.
Yuyang Sun +8 more
wiley +1 more source
Aramid Nanofiber Aerogels: Preparation, Modification, Composite Fabrication, and Applications
Advanced Materials, EarlyView.Different forms of aramid nanofibers (ANFs) and especially aerogels from them, offer a sustainable route to high‐performance biomimetic nanocomposites. Due to the cartilage‐like architecture, ANF‐based materials enable breakthroughs in energy, electromagnetic, biomedical, and water purification technologies.
Mingqiang Wang +9 more
wiley +1 more source
Structure-based high throughput virtual screening for drug discovery [PDF]
, 2002 Hongfei Jiang +9 more
openalex +1 more source
In silico generation of novel, drug-like chemical matter using the LSTM neural network
, 2017 The exploration of novel chemical spaces is one of the most important tasks of cheminformatics when supporting the drug discovery process. Properly designed and trained deep neural networks can provide a viable alternative to brute-force de novo ...
Ertl, Peter +3 more
core