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• W2906293588 abstract "Abstract GIIA secreted phospholipase A 2 (GIIA sPLA 2 ) is a potent target for drug discovery. To distinguish the activity level of the inhibitors of GIIA sPLA 2 , we built 24 classification models by three machine learning algorithms including support vector machine (SVM), decision tree (DT), and random forest (RF) based on 452 compounds. The molecules were represented by CORINA descriptors, MACCS fingerprints, and ECFP4 fingerprints, respectively. The dataset was split into a training set containing 312 compounds and a test set containing 140 compounds by Kohonen's self‐organizing map (SOM) strategy and a random strategy. A recursive feature elimination (RFE) method and an information gain (IG) method were used in the selection of molecular descriptors. Three favorable performing models were obtained. They were built by SVM algorithm with CORINA descriptors (Models 1A and 2A) and ECFP4 fingerprints (Model 10A). In the prediction of test set of Model 10A, the accuracy reached 90.71%, and the Matthews correlation coefficient (MCC) values reached 0.82. In addition, the 452 inhibitors were clustered into eight subsets by K‐Means algorithm for analyzing their structural features. It was found that highly active inhibitors mainly contained indole scaffold or indolizine scaffold and four side chains." @default.
• W2906293588 created "2019-01-01" @default.
• W2906293588 creator A5003681868 @default.
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• W2906293588 creator A5050408456 @default.
• W2906293588 creator A5064842058 @default.
• W2906293588 date "2019-02-04" @default.
• W2906293588 modified "2023-10-16" @default.
• W2906293588 title "SAR study on inhibitors of GIIA secreted phospholipase A₂using machine learning methods" @default.
• W2906293588 cites W1696959307 @default.
• W2906293588 cites W1882946118 @default.
• W2906293588 cites W1966089227 @default.
• W2906293588 cites W1967645013 @default.
• W2906293588 cites W1972500434 @default.
• W2906293588 cites W1973038589 @default.
• W2906293588 cites W1973589490 @default.
• W2906293588 cites W1974159853 @default.
• W2906293588 cites W1974751785 @default.
• W2906293588 cites W1975292683 @default.
• W2906293588 cites W1978467377 @default.
• W2906293588 cites W1979566472 @default.
• W2906293588 cites W1980264679 @default.
• W2906293588 cites W1988037271 @default.
• W2906293588 cites W1989024737 @default.
• W2906293588 cites W1992035893 @default.
• W2906293588 cites W1992799550 @default.
• W2906293588 cites W1996925740 @default.
• W2906293588 cites W1997764369 @default.
• W2906293588 cites W1999426841 @default.
• W2906293588 cites W2009444250 @default.
• W2906293588 cites W2011748027 @default.
• W2906293588 cites W2012161815 @default.
• W2906293588 cites W2012852630 @default.
• W2906293588 cites W2014467756 @default.
• W2906293588 cites W2021532436 @default.
• W2906293588 cites W2021556915 @default.
• W2906293588 cites W2023318810 @default.
• W2906293588 cites W2027484221 @default.
• W2906293588 cites W2031848840 @default.
• W2906293588 cites W2032374475 @default.
• W2906293588 cites W2045272862 @default.
• W2906293588 cites W2048775526 @default.
• W2906293588 cites W2055853130 @default.
• W2906293588 cites W2057547095 @default.
• W2906293588 cites W2062210285 @default.
• W2906293588 cites W2062750305 @default.
• W2906293588 cites W2064644631 @default.
• W2906293588 cites W2065866784 @default.
• W2906293588 cites W2069273020 @default.
• W2906293588 cites W2073474484 @default.
• W2906293588 cites W2075112640 @default.
• W2906293588 cites W2077755739 @default.
• W2906293588 cites W2079391392 @default.
• W2906293588 cites W2082440524 @default.
• W2906293588 cites W2083681924 @default.
• W2906293588 cites W2085487226 @default.
• W2906293588 cites W2088025081 @default.
• W2906293588 cites W2091684095 @default.
• W2906293588 cites W2091867989 @default.
• W2906293588 cites W2099578736 @default.
• W2906293588 cites W2103075513 @default.
• W2906293588 cites W2124964328 @default.
• W2906293588 cites W2125159751 @default.
• W2906293588 cites W2143426320 @default.
• W2906293588 cites W2152334883 @default.
• W2906293588 cites W2152511239 @default.
• W2906293588 cites W2161160262 @default.
• W2906293588 cites W2269909407 @default.
• W2906293588 cites W2272462012 @default.
• W2906293588 cites W2292491492 @default.
• W2906293588 cites W2309659689 @default.
• W2906293588 cites W2326046137 @default.
• W2906293588 cites W2336411773 @default.
• W2906293588 cites W2409166553 @default.
• W2906293588 cites W2416960258 @default.
• W2906293588 cites W2481808473 @default.
• W2906293588 cites W2490032828 @default.
• W2906293588 cites W2516373692 @default.
• W2906293588 cites W2529557032 @default.
• W2906293588 cites W2612505960 @default.
• W2906293588 cites W2623527204 @default.
• W2906293588 cites W2767034401 @default.
• W2906293588 cites W2911964244 @default.
• W2906293588 cites W2951319941 @default.
• W2906293588 cites W2951957676 @default.
• W2906293588 cites W4236897159 @default.
• W2906293588 cites W4239510810 @default.
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• W2906293588 doi "https://doi.org/10.1111/cbdd.13470" @default.
• W2906293588 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30582300" @default.
• W2906293588 hasPublicationYear "2019" @default.
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