Citations are widely considered in scientists’ evaluation. As such, scientists may be incentivized to inflate their citation counts. While previous literature has examined self-citations and citation cartels, it remains unclear whether scientists can pu
Structure of Python-based library CrackPy, v.1.1.1 48. Full size image Methods 3–5 are receiving increasing attention: The methods describe the whole crack tip field in an alternative way considering higher-order terms of the Williams series and plastic effects. While the fitting methods (4 ...
in solving several challenging problems in the field of natural product research: for example, it would expedite the identification of natural products from the MS spectra of bio- logical samples, which often require time-consuming experimental measurement and manual curation by expert biochemists. Ad...
This protein was first introduced in 1980 by the biochemist Stanley Cohen et al.1 and their work was subsequently awarded by the Nobel Prize in Physiology or Medicine for 1986, jointly with the biologist Rita Levi-Montalcini for their discovery of epidermal growth factor (EGF) and nerve growth...
-like molecules. Since it is crucial for a chemist to judge whether a given molecule is suitable to initiate lead optimization, in addition to structural filters, we implemented a rule-based method for leadlikeness, which was adapted from ref.64....
In order to come up with novel fragrances, a synthetic chemist needs to understand the relationship between odor quality and the physico-chemical properties of the odorant. A molecule can be called an odorant if it satisfies the following conditions. Firstly, the molecule must be sufficiently volat...
with quantum chemistry techniques, such as density functional theory (DFT), is therefore a central effort of computational organic chemistry. However, the combinatorial complexity of potential reaction pathways requires significant experience on the part of the computational chemist to determine which ...
(SMILES)31,32,33,34. The LSTM networks built in this study were fed with canonical SMILES representations that are first encoded into one-hot vectors and then passed to the computing cell which performs as many computations as the length of the input SMILES in a loop. At each step, one ...