Results 61 to 70 of about 3,070,839 (358)

Stress Testing BERT Anaphora Resolution Models for Reaction Extraction in Chemical Patents [PDF]

arXiv, 2023
The high volume of published chemical patents and the importance of a timely acquisition of their information gives rise to automating information extraction from chemical patents. Anaphora resolution is an important component of comprehensive information extraction, and is critical for extracting reactions.
arxiv  

Asymptotic analysis of multiscale approximations to reaction networks

, 2006
A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as possible ...
Ball, Karen, Kurtz, Thomas G., Popovic, Lea, Rempala, Greg   +3 more
core   +3 more sources

Programmability of Chemical Reaction Networks [PDF]

, 2008
Motivated by the intriguing complexity of biochemical circuitry within individual cells we study Stochastic Chemical Reaction Networks (SCRNs), a formal model that considers a set of chemical reactions acting on a finite number of molecules in a well ...
A Church, A Hjelmfelt, A Turing, AP Arkin, B Levin, CH Bennett, D Gale, D Soloveichik, DT Gillespie, EL Post, EW Mayr, G Păun, G Păun, G Zavattaro, GM Suel, HH McAdams, J Esparza, J Herbrand, JH Conway, JH Conway, K Gödel, K Gödel, L Cardelli, LE Rosier, M Cook, M Cook, M Gibson, M Minsky, MB Elowitz, ML Minsky, MO Magnasco, P Guptasarma, PJE Goss, R Péter, RM Karp, SA Kurtz, W Ackermann   +36 more
core   +5 more sources

Unraveling Mycobacterium tuberculosis acid resistance and pH homeostasis mechanisms

FEBS Letters, EarlyView.
Mycobacterium tuberculosis exhibits a remarkable resilience to acid stress. In this Review, we discuss some of the molecular mechanisms and metabolic pathways used by the tubercle bacilli to adapt and resist host‐mediated acid stress. Mycobacterium tuberculosis (Mtb) is a successful pathogen that has developed a variety of strategies to survive and ...
Janïs Laudouze, Stéphane Canaan, Alexandre Gouzy, Pierre Santucci   +3 more
wiley   +1 more source

Linear stability analysis of chemical mechanism, Listanalchem: A tool for the search of spontaneous mirror symmetry breaking

MethodsX, 2023
Homochirality, the phenomenon by which one of two virtually identical (non-superimposable mirror images) compounds is favored over the other in the chemistry of life, has been regarded as a requisite for the emergence of all living things on earth ...
Elkin Cruz, Andrés Montoya, Jesús Ágreda   +2 more
doaj  

From Tokenization to Self-Supervision: Building a High-Performance Information Extraction System for Chemical Reactions in Patents

Frontiers in Research Metrics and Analytics, 2021
Chemical reactions and experimental conditions are fundamental information for chemical research and pharmaceutical applications. However, the latest information of chemical reactions is usually embedded in the free text of patents.
Jingqi Wang, Yuankai Ren, Zhi Zhang, Hua Xu, Yaoyun Zhang   +4 more
doaj   +1 more source

Required Levels of Catalysis for Emergence of Autocatalytic Sets in Models of Chemical Reaction Systems

International Journal of Molecular Sciences, 2011
The formation of a self-sustaining autocatalytic chemical network is a necessary but not sufficient condition for the origin of life. The question of whether such a network could form “by chance” within a sufficiently complex suite of molecules and ...
W. Hordijk, S. Kauffman, M. Steel
semanticscholar   +1 more source

Hybrid Pathwise Sensitivity Methods for Discrete Stochastic Models of Chemical Reaction Systems [PDF]

, 2014
Stochastic models are often used to help understand the behavior of intracellular biochemical processes. The most common such models are continuous time Markov chains (CTMCs).
Anderson, David F., Wolf, Elizabeth Skubak   +1 more
core   +1 more source

Refining the NaV1.7 pharmacophore of a class of venom‐derived peptide inhibitors via a combination of in silico screening and rational engineering

FEBS Letters, EarlyView.
Venom peptides have shown promise in treating pain. Our study uses computer screening to identify a peptide that targets a sodium channel (NaV1.7) linked to chronic pain. We produced the peptide in the laboratory and refined its design, advancing the search for innovative pain therapies.
Gagan Sharma, Jennifer R. Deuis, Xinying Jia, Theo Crawford, Sassan Rahnama, Eivind A. B. Undheim, Irina Vetter, Yanni K. ‐Y. Chin, Mehdi Mobli   +8 more
wiley   +1 more source

Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits [PDF]

arXiv, 2020
The central challenge in automated synthesis planning is to be able to generate and predict outcomes of a diverse set of chemical reactions. In particular, in many cases, the most likely synthesis pathway cannot be applied due to additional constraints, which requires proposing alternative chemical reactions. With this in mind, we present Molecule Edit
arxiv