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Early on in this afternoon's earnings call, Cook touched on the success of the iPad with a passing prediction, saying that he "still believe[s] it will be larger than the PC market" in the long run.
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As the PASS tool interprets the BAS based on the 2D structure of molecules, the hemiacetalic ("cyclic") and dialdehidic ("open") structures of OA and DOA were drawn using ACD/ChemSketch version 12, then saved as MDL Molfiles (*.mol) and directly uploaded into the PASS prediction program to predict the biologically active spectra of the molecules.
2In the literature [15,26], noncausal predictive methods have been used for the IPE by using multi-passes prediction for multi-layers embedding.
PASS prediction of the compound, Pa represents probability to be active and Pi represents probability to be inactive.
The results of PASS prediction for a compound are demonstrated as a list of activity names and probability activity (P a) values.
During execution of the workflow, the PASS (Prediction of Activity Spectra of Substances) program [3] is used to calculate prediction coefficients for around 3000 biological activities for both the structures with known and unknown' activity.
Moreover, PASS prediction and molecular docking in an excellent validated homology model of CB1 suggest that these compounds would probably act as CB1 antagonists/inverse agonists and therefore, anti-obesity agents.
Out of 400 virtually designed imidazoline N-oxides, five cyclic nitrones were selected on the basis of PASS prediction as potent nootropics and were evaluated for their biological activities in albino mice.
Estimation of pharmacotherapeutic potential, possible molecular mechanism of action, toxic/side effects and interaction with drug-metabolizing enzymes were made for the synthesized compounds on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by PharmaExpert software.
PASS prediction tools are constructed using principal compounds from the MDDR database (produced by Accelrys and Prous Science), which is continuously updated with biologically relevant compounds.
PASS prediction tools were constructed using 20000 principal compounds [ 26] and about 4000 kinds of biological activity on the basis of structural formula with mean accuracy about 90% [ 27].
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