Your English writing platform
Discover LudwigExact(14)
(A spectral library is a database of compounds classified according to the wavelength of the light they emit or absorb).
A database of compounds from PubChem was constructed from the SMILES of the respective compounds.
ACPC and Shape-it screen a database of compounds read from a MOL2 file.
Combined with a scoring function, it can rank-order a database of compounds versus a query molecule.
An alternative approach is to use a machine learning algorithm to virtually screen a database of compounds.
Combined with a scoring function, the descriptor allows to rank-order a database of compounds versus a query molecule.
Similar(46)
Five different conformer handling scenarios considered in this study, where the 3-D similarity "query" is the entity being compared to a "database" of compound conformers.
Consider, for instance, a database of 10,000 compounds of which 1% are active compounds.
In a technical talk, Kana Shimizu (AIST) described a clever application of additive homomorphic encryption which allows a database of chemical compounds to be interrogated for the presence or absence of records similar to a query compound - without revealing the query itself.
Our results demonstrate that for different compounds with similar MOT, the likely toxicologic end point can be inferred from gene expression profiles using a database of model compounds as a training set.
A quantitative logBB model was developed from a database of 152 compounds with known logBB values which was assembled from the literature [21, 38, 54].
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com