Results 51 to 60 of about 4,406,611 (299)
Convection and chemistry effects in CVD: A 3-D analysis for silicon deposition [PDF]
, 1989 The computational fluid dynamics code FLUENT has been adopted to simulate the entire rectangular-channel-like (3-D) geometry of an experimental CVD reactor designed for Si deposition.
Chait, A. +3 more
core +3 more sources
Library Design in Combinatorial Chemistry by Monte Carlo Methods [PDF]
Phys. Rev. E 61 (2000) 5948-5952, 2000 Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced. The search strategies, derived by analogy with the computer modeling technique of Monte Carlo, effectively search the variable space even in combinatorial chemistry ...
arxiv +1 more source
OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design
Journal of Chemical Information and Modeling, 2020 Deep learning models have demonstrated outstanding results in many data-rich areas of research, such as computer vision and natural language processing.
M. Korshunova +3 more
semanticscholar +1 more source
Deep learning for computational chemistry [PDF]
Journal of Computational Chemistry, 2017 The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning, a machine ...
Garrett B. Goh +2 more
semanticscholar +1 more source
FEBS Letters, EarlyView.The glacier ice worm Mesenchytraeus solifugus survives year‐round at 0 °C. Its ATP6 subunit, which forms a regulatory component of the proton pore in mitochondrial ATP synthase, has a carboxy‐terminal extension not found in any other organism examined to date. Here, we show that fusion of this extension to the homologous AtpB protein in E. coli results
Truman Dunkley +2 more
wiley +1 more source
Education Sciences, 2023 The use of technology in education has experienced significant growth in recent years. In this regard, computational chemistry is considered a dynamic element due to the constant advances in computational methods in chemistry, making it an emerging ...
José Hernández-Ramos +2 more
doaj +1 more source
Semantically enhanced provenance capture for chamber model development with a master chemical mechanism [PDF]
, 2009 The development and maintenance of benchmark databases within scientific communities is reliant on interactions with database users. We explore the role of semantically enhanced provenance for computational modelling processes that make use of one such ...
Dew, PM +4 more
core +1 more source
FEBS Letters, EarlyView.This study explores the distinct molecular mechanisms underlying Lynch syndrome‐associated and sporadic colorectal cancer (CRC). By highlighting the therapeutic potential of targeting the PI3K‐Akt pathway in Lynch syndrome‐associated CRC and the Wnt pathway in sporadic CRC, the findings open avenues for personalised treatment strategies, aiming to ...
May J. Krause +2 more
wiley +1 more source
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks [PDF]
arXiv, 2023 Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear.
arxiv
Molecular Oncology, EarlyView.Urine is a rich source of biomarkers for cancer detection. Tumor‐derived material is released into the bloodstream and transported to the urine. Urine can easily be collected from individuals, allowing non‐invasive cancer detection. This review discusses the rationale behind urine‐based cancer detection and its potential for cancer diagnostics ...
Birgit M. M. Wever +1 more
wiley +1 more source