If I have a list of “interesting” compounds from Materials Project (let’s say ~100), and I want to cross-reference these with scientific literature before trying to make them, what suggestions do you have for searching for these cross-references? More obscure compounds are difficult to find unless it specifically appears in the title, abstract, or other metadata for an article.
I noticed that in https://next-gen.materialsproject.org/ there is a note for “Literature References” that “This section not yet available.”
This, along with the now-available synthesis descriptions is very exciting to see! I think the synthesis descriptions will be useful to me, but I don’t think these will cover all cases (even if the compound is known to be experimentally synthesizable).
When will the Literature References section be available and is there something WIP that I can use in the meantime? I’ve thought about using ChemDataExtractor2, but I can’t say I’m particularly excited to try to get my own corpus of millions of articles, run it through ChemDataExtractor2, and try to reliably cross-reference against my compounds of interest, especially if materials NLP experts are already at it.
One thing that I sometimes do, at least on the old MP site, is scroll to the bottom of the page for a material and click Show BibTeX Citation. I believe this shows the literature reference associated with each ICSD id corresponding to the material. That tends to be a good starting point for materials that have been previously experimentally synthesized. Then I will go down the usual rabbit hole of looking for papers that have cited those papers, and so on…
@mattmcdermott thanks for this tip! I didn’t realize that literature references (other than MP-specific ones) were given on the old website. Awesome! I’m now realizing this is probably the same as “Literature References” for the new site. Some of the references are pretty old and a bit hard to locate, but it’s so much better than a blind search! I was able to find a number of resources in a fairly short time thanks to this tip
@mkhorton, the synthesis app is really cool to see. Hoping I can find recipes for a few of the materials I’m interested in
Doesn’t look like anyone mentioned Matscholar, you may find it of useful for finding relevant synthesis literature on specific compounds. Its from the same people who lead the materials project.
Fantastic. I think I have heard of Matscholar before, but wouldn’t have thought to use it in this context. It seems to work well for this (with the benefit of extending to non-MP compounds)! With all the solutions mentioned, I think I’ll be able to find what I need for most if not all the compounds we’re interested in.
For this exact purpose (i.e. sifting the peer-reviewed data), I’d recommend the more specialized data providers making the data excerpting and curation at scale, e.g.:
I also realized https://citrination.com/ (open version for academics) has facilities for searching for materials, and it has DOIs next to certain compounds.
The aim of this project is to make access to crystal structure data as easy as possible.
A huge amount of empirical crystallographic information was collected during decades and it is crucial for chemist, biologists, physicists, materials scientists as well as for engineers. The data is scattered in multiple databases, while the best ones are not free. Straightforward access and efficient search in large arrays of data is a necessary part of the scientific infrastructure, which is beneficial to everyone and stimulate the scientific and technological advances.
This project aims improvements of this infrastructure and as a first step, a web-interface is created for search in the Crystallography Open Database (COD).
and is there something WIP that I can use in the meantime? I’ve thought about using ChemDataExtractor2, but I can’t say I’m particularly excited to try to get my own corpus of millions of articles, run it through ChemDataExtractor2, and try to reliably cross-reference against my compounds of interest, especially if materials NLP experts are already at it.
