The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery.
Biology encodes information in DNA and RNA, which are complex molecules finely tuned to their functions. But are they the only way to store hereditary molecular information? Some scientists believe life as we know it could ...
Biochemistry
Nov 11, 2019
5
2961
Improperly mixed chemicals cause a shocking number of fires, explosions, and injuries in laboratories, businesses, and homes each year.
Materials Science
Jan 23, 2020
0
3067
Insilico Medicine, a clinical stage generative artificial intelligence (AI)-driven drug discovery company, today announced that it combined two rapidly developing technologies, quantum computing and generative AI, to explore ...
Analytical Chemistry
May 19, 2023
0
52
A long-held goal by chemists across many industries, including energy, pharmaceuticals, energetics, food additives and organic semiconductors, is to imagine the chemical structure of a new molecule and be able to predict ...
Materials Science
Jun 11, 2021
1
30
Hundreds of millions of tons of polymer materials are produced globally for use in a vast and ever-growing application space with new material demands such as green chemistry polymers, consumer packaging, adhesives, automotive ...
Polymers
Nov 30, 2022
0
143
Whether organic chemists are working on developing new molecular energetics or creating new blockbuster drugs in the pharmaceutical industry, each is searching how to optimize the chemical structure of a molecule to attain ...
Analytical Chemistry
Dec 24, 2020
0
74
Researchers from North Carolina State University have demonstrated that molecular dynamics simulations and machine learning techniques could be integrated to create more accurate computer prediction models. These "hyper-predictive" ...
Biochemistry
May 15, 2017
0
15
Scientists from MIPT's Research Center for Molecular Mechanisms of Aging and Age-Related Diseases, together with Inria research center, Grenoble, France, have developed a software package called Knodle to determine an atom's ...
Materials Science
Oct 14, 2016
0
94
There are few problems now that AI and machine learning cannot help overcome. Researchers from the Yokohama National University are using this modern advantage to resolve what conventional methods cannot.
Analytical Chemistry
May 13, 2024
0
108
The twist has been taking the field of condensed matter physics by storm. No, not the 1960s dance craze made famous by Chubby Checker— the stunning discovery that two sheets of graphene, a flat honeycomb-shaped lattice ...
Nanomaterials
Jul 27, 2020
0
385
