Results 11 to 20 of about 3,192,458 (357)
Augmenting large language models with chemistry tools [PDF]
Nature Machine Intelligence, 2023 Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications.
Andrés M Bran +5 more
semanticscholar +1 more source
The ORCA quantum chemistry program package.
Journal of Chemical Physics, 2020 In this contribution to the special software-centered issue, the ORCA program package is described. We start with a short historical perspective of how the project began and go on to discuss its current feature set.
F. Neese +3 more
semanticscholar +1 more source
Scientific Reports, 2017 To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for the expected biologic events to occur.
semanticscholar +1 more source
Acknowledgment to Reviewers of Chemistry in 2020
Chemistry, 2021 Peer review is the driving force of journal development, and reviewers are gatekeepers who ensure that Chemistry maintains its standards for the high quality of its published papers [...]
Chemistry Editorial Office
doaj +1 more source
In situ click chemistry generation of cyclooxygenase-2 inhibitors
Nature Communications, 2017 Cyclooxygenase-2 isozyme is a promising anti-inflammatory drug target, and overexpression of this enzyme is also associated with several cancers and neurodegenerative diseases.
A. Bhardwaj, J. Kaur, M. Wuest, F. Wuest
semanticscholar +1 more source
Journal of chemistry, 2019 Heavy metals are well-known environmental pollutants due to their toxicity, persistence in the environment, and bioaccumulative nature. Their natural sources include weathering of metal-bearing rocks and volcanic eruptions, while anthropogenic sources ...
H. Ali, Ezzat Khan, I. Ilahi
semanticscholar +1 more source
Sustainable Chemistry: Green Chemistry
Journal of the Institute of Science and Technology, 2016 Sanayi devriminden sonra yasam standartlarimiz yukseldi ve hayatimizi kolaylastiran bircok yeni urun gelistirildi, insan omru uzadi. Endustri devrimi ile birlikte ihtiyaclarimizla orantili olarak uretim artmis ve bu uretim artisi ham maddelerin hizla tuketilmesine yol acmistir.
KARAGÖLGE, Zafer, GÜR, Bahri
openaire +3 more sources
EPJ Web of Conferences, 2015 The chemical species in protoplanetary disks react with each other. The chemical species control part of the thermal balance in those disks. How the chemistry proceeds in the varied conditions encountered in disks relies on detailed microscopic understanding of the reactions through experiments or theoretical studies.
openaire +3 more sources
Beilstein Journal of Organic Chemistry, 2015 Published by Beilstein-Institut zur Förderung der Chemischen Wissenschaften, Frankfurt ...
Müller, Thomas E., Leitner, Walter
openaire +4 more sources
Mapping the evolution of mitochondrial complex I through structural variation
FEBS Letters, EarlyView.Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin +2 more
wiley +1 more source