Sentence examples for pass prediction from inspiring English sources

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.

Fig. 11 The TGA curve of 3. PASS (Prediction of Activity Spectra) is an online tool [46] which predicts almost 900 types of activities based on the structure of a compound.

PASS prediction of the compound, Pa represents probability to be active and Pi represents probability to be inactive.

Further, their theoretical predictions for probable activities have been taken using PASS (Prediction of Activity Spectra for Substance).

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.

Algorithm of PASS predictions is described in detail in several publications [21, 22, 23, 24].

In predefined workflows we start with an SDFile, filter the structures by substructure queries, followed by PASS predictions [2].

PASS predictions are based on SAR analysis of the training set consisting of more than 900000 of drugs, drug-candidates and lead compounds.

On the basis of exhaustive literature review and PASS predictions, it has been found that substituted 1,2,3,4 tetrahydropyrimidine derivatives have good potential to exhibit in vitro anti-inflammatory activity.

2In the literature [15,26], noncausal predictive methods have been used for the IPE by using multi-passes prediction for multi-layers embedding.