| 000 -LEADER |
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| fixed length control field |
02558nam a2200289Ia 4500 |
| 001 - CONTROL NUMBER |
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| control field |
87681 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
ft7673 |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20251013141127.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
230120n 000 0 eng d |
| 040 ## - CATALOGING SOURCE |
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| Description conventions |
rda |
| 041 ## - LANGUAGE CODE |
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| Language code of text/sound track or separate title |
engtag |
| 050 ## - LIBRARY OF CONGRESS CALL NUMBER |
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| Classification number |
QD75 P86 2022 |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
. |
| 100 ## - MAIN ENTRY--PERSONAL NAME |
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| Personal name |
Katherine Lorn G. Puno |
| 245 #0 - TITLE STATEMENT |
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| Title |
Quantitative structure activity relationship (QSAR) study of antioxidant activity of catechin derivative |
| 264 ## - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE |
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| Place of production, publication, distribution, manufacture |
Manila: |
| Name of producer, publisher, distributor, manufacturer |
PLM, |
| Date of production, publication, distribution, manufacture, or copyright notice |
c2022 |
| 300 ## - PHYSICAL DESCRIPTION |
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| Dimensions |
28 cm. |
| Extent |
71 pp. |
| 336 ## - CONTENT TYPE |
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| Content type code |
text |
| Content type term |
text |
| Source |
text |
| 337 ## - MEDIA TYPE |
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| Media type code |
unmediated |
| Media type term |
unmediated |
| Source |
unmediated |
| 338 ## - CARRIER TYPE |
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| Carrier type code |
volume |
| Carrier type term |
volume |
| Source |
volume |
| 505 ## - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
ABSTRACT: QSAR is a computational method used in identifying the relationship between the structure of a compound and its biologival activities. In this study, quantitative-structure activity relation model for antioxidant activity of twenty-three catechin derivatives was generated. Both the structure of compounds and its biological activity was obtained from literature. The data set was divided into training set (n=17) and test set (n=6). The compounds were sketched in 2D before the computation of the physicochemical and topological descriptors. QSAR modelling was done using multiple linear regression method (MLR). The predictive power of these models were evaluated internally by applying the following statistical parameters for the training set and test set: RMSE (root-mean-square error for prediction), squared correlation coefficient (R2), adjested squared correlation coefficient (R2 adj). difference between R2 and R2 adj (R2 – R2 adj), squared cross-validation correlation coefficient coefficient (Q2). External validation was also performed by employing Golbraikh and Tropsha criteria. The model produced showed the three descriptors with highest influence on the antioxidant activity of the compounds were all under topological descriptions. The two connectivity index descriptors showed a negative contribution on the antioxidant activity of the compound while the topological charge index descriptor has a positive contribution. Both the internal (RMSE=0.22000; R2=.87713; R2 adj=0.84877; R2-R2adj=0.02836; Q2=0.81994) and external validation (R2=0.85956; Ro2=0.85956; R2-R02=0.03524; R2=0.03524; R2-R02/R2=0.04234; k=0.99266; Q2=0.81994) of the model showed that the model obtained from MLR method is acceptable and can be used to predict antioxidant activities of catechin compounds. |
| 506 ## - RESTRICTIONS ON ACCESS NOTE |
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| Terms governing access |
5 |
| 526 ## - STUDY PROGRAM INFORMATION NOTE |
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| Classification |
Filipiniana |
| 540 ## - TERMS GOVERNING USE AND REPRODUCTION NOTE |
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| Terms governing use and reproduction |
5 |
| 655 ## - INDEX TERM--GENRE/FORM |
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| Genre/form data or focus term |
academic writing |
| 942 ## - ADDED ENTRY ELEMENTS |
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| Institution code [OBSOLETE] |
lcc |
| Item type |
Thesis/Dissertation |
| Source of classification or shelving scheme |
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