| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T170 |
0-4 |
Sentence |
denotes |
2.3. |
| T171 |
6-48 |
Sentence |
denotes |
Pharmacokinetic (PK) parameters prediction |
| T172 |
49-146 |
Sentence |
denotes |
Drug discovery process requires early prediction of ADMET properties of candidate drug molecules. |
| T173 |
147-302 |
Sentence |
denotes |
The fate of a therapeutic drug in an organism can be predicted conveniently by employing a user-friendly interface of SwissADME (http://www.swissadme.ch.). |
| T174 |
303-468 |
Sentence |
denotes |
The server predicts important properties like lipophilicity (LIPO), flexibility (FLEX), TPSA, size, unsaturation (INSATU), insolubility (INSOLU) and bioavailability. |
| T175 |
469-744 |
Sentence |
denotes |
Another online program admetSAR v1.0 (http://lmmd.ecust.edu.cn/admetsar2/) calculates and predicts physicochemical properties like lipophilicity (LIPO) of a query compound (XLOGP3) by using a known logP value of a reference compound as a starting point (Teague et al., 1999). |
| T176 |
745-902 |
Sentence |
denotes |
The percentage of sp-hybridized carbons in the overall carbon count (Fraction Csp3) in the saturation percentage should be at least 0.25 (Tian et al., 2015). |
| T177 |
903-1321 |
Sentence |
denotes |
For solubility, log S (calculated with the ESOL model) should not exceed 6 (Delaney, 2004). admetSAR is also used to predict physiological and biochemical properties of a prospective drug candidate like human intestinal absorption (HIA), blood–brain barrier (BBB) permeability, Caco-2 penetration, P-glycoprotein inhibitor, Ames test-based mutagenesis, subcellular localization, biodegradation and acute oral toxicity. |
