Results 101 to 110 of about 142,191 (132)

On the solution of time‐fractional dynamical model of Brusselator reaction‐diffusion system arising in chemical reactions

Mathematical methods in the applied sciences, 2020
Fractional Brusselator reaction‐diffusion system (BRDS) is used for modeling of specific chemical reaction‐diffusion processes. It may be noted that numerous models in nonlinear science are defined by fractional differential equations (FDEs) in which an ...
R. M. Jena, S. Chakraverty, H. Rezazadeh, D. Domiri Ganji   +3 more
semanticscholar   +1 more source

From text to insight: large language models for chemical data extraction.

Chemical Society Reviews
The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design.
Mara Schilling-Wilhelmi, Martiño Ríos-García, Sherjeel Shabih, María Victoria Gil, Santiago Miret, Christoph T Koch, J. Márquez, K. Jablonka   +7 more
semanticscholar   +1 more source

Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph

Journal of Chemical Information and Modeling
Self-supervised molecular representation learning has demonstrated great promise in bridging machine learning and chemical science to accelerate the development of new drugs.
Jiancong Xie, Yi Wang, J. Rao, Shuangjia Zheng, Yuedong Yang   +4 more
semanticscholar   +1 more source

Evaluating and Promoting Chemical Safety Awareness in the Chemical Sciences

Journal of Chemical Education, 2022
Swapnil L. Sonawane, Vikas J. Patil, Rodney A. Tigaa   +2 more
semanticscholar   +1 more source

Further development of structure generation in the automated structure elucidation system CHEMICS

Journal of chemical information and computer sciences, 1988
K. Funatsu, N. Miyabayashi, S. Sasaki
semanticscholar   +1 more source

Computational perception and recognition of digitized molecular structures

Journal of chemical information and computer sciences, 1990
M. L. Contreras, C. Allendes, L. Álvarez, R. Rozas   +3 more
semanticscholar   +1 more source

Lateral nanoarchitectonics from nano to life: ongoing challenges in interfacial chemical science

Chemical Science
Lateral nanoarchitectonics is a method of precisely designing functional materials from atoms, molecules, and nanomaterials (so-called nanounits) in two-dimensional (2D) space using knowledge of nanotechnology.
Jingwen Song, Anna Jancik‐Prochazkova, K. Kawakami, Katsuhiko Ariga   +3 more
semanticscholar   +1 more source

DARC topological descriptors for pattern recognition in molecular database management systems and design

Journal of chemical information and computer sciences, 1991
J. Dubois, G. Carrier, A. Panaye
semanticscholar   +1 more source

Wiener and Randic topological indexes for graphs

Journal of chemical information and computer sciences, 1992
Berthold J. Maier
semanticscholar   +1 more source

Tenth Spectral Moment for Molecular Graphs of Phenylenes

Journal of chemical information and computer sciences, 1999
S. Marković
semanticscholar   +1 more source