Marine natural products
This review covers the literature published in 2019 for marine natural products (MNPs), with
719 citations (701 for the period January to December 2019) referring to compounds …
719 citations (701 for the period January to December 2019) referring to compounds …
A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide
Covering: 2015 up to the end of 2020 Even in the golden age of NMR, the number of natural
products being incorrectly assigned is becoming larger every day. The use of quantum NMR …
products being incorrectly assigned is becoming larger every day. The use of quantum NMR …
NMR calculations with quantum methods: development of new tools for structural elucidation and beyond
Conspectus Structural elucidation is an important and challenging stage in the discovery of
new organic molecules. Single-crystal X-ray analysis provides the most unquestionable …
new organic molecules. Single-crystal X-ray analysis provides the most unquestionable …
Socio-technical scales in socio-environmental modeling: Managing a system-of-systems modeling approach
Abstract System-of-systems approaches for integrated assessments have become prevalent
in recent years. Such approaches integrate a variety of models from different disciplines and …
in recent years. Such approaches integrate a variety of models from different disciplines and …
Practical reproducibility in geography and geosciences
Reproducible research is often perceived as a technological challenge, but it is rooted in the
challenge to improve scholarly communication in an age of digitization. When computers …
challenge to improve scholarly communication in an age of digitization. When computers …
A hierarchy of limitations in machine learning
MM Malik - arxiv preprint arxiv:2002.05193, 2020 - arxiv.org
" All models are wrong, but some are useful", wrote George EP Box (1979). Machine
learning has focused on the usefulness of probability models for prediction in social …
learning has focused on the usefulness of probability models for prediction in social …
Redefining the impact of Boltzmann analysis in the stereochemical assignment of polar and flexible molecules by NMR calculations
The in silico assignment of polyhydroxylated compounds represents a major challenge
given the thus far unsolved problem of inappropriate description of the conformational …
given the thus far unsolved problem of inappropriate description of the conformational …
Navigating the development challenges in creating complex data systems
Data science systems (DSSs) are a fundamental tool in many areas of research and are now
being developed by people with a myriad of backgrounds. This is coupled with a crisis in the …
being developed by people with a myriad of backgrounds. This is coupled with a crisis in the …
Naturally Occurring Organohalogen Compounds—A Comprehensive Review
GW Gribble - Naturally Occurring Organohalogen Compounds, 2023 - Springer
The present volume is the third in a trilogy that documents naturally occurring
organohalogen compounds, bringing the total number—from fewer than 25 in 1968—to …
organohalogen compounds, bringing the total number—from fewer than 25 in 1968—to …
Empirical evaluation of deep learning models for knowledge tracing: Of hyperparameters and metrics on performance and replicability
We review and evaluate a body of deep learning knowledge tracing (DLKT) models with
openly available and widely-used data sets, and with a novel data set of students learning to …
openly available and widely-used data sets, and with a novel data set of students learning to …