Lovrić, Mario; Malev, Olga; Klobučar, Goran; Kern, Roman; Liu, Jay; Lučić, Bono, Predictive Capability of QSAR Models Based on the CompTox Zebrafish Embryo Assays: An Imbalanced Classification Problem. // Molecules, 26 (2021), 6; 1617, 15 doi:10.3390/molecules26061617
Cichońska, Anna; Ravikumar, Balaguru; Allaway, Robert J.; Wan, Fangping; Park, Sungjoon; Isayev, Olexandr; Li, Shuya; Mason, Michael; Lamb, Andrew; Tanoli, Ziaurrehman et al., Crowdsourced mapping of unexplored target space of kinase inhibitors. // Nature communications, 12 (2021), 3307, 18 doi:10.1038/s41467-021-23165-1
Lovrić, Mario; Pavlović, Kristina; Žuvela, Petar; Spataru, Adrian; Lučić, Bono; Kern, Roman; Wong, Ming Wah, Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?. // Journal of chemometrics, 35 (2021), 7-8; e3349, 16 doi:10.1002/cem.3349
Lučić, Bono; Batista, Jadranko; Bojović, Viktor; Lovrić, Mario; Sović Kržić, Ana; Bešlo, Drago; Nadramija, Damir; Vikić-Topić, Dražen, Estimation of Random Accuracy and its Use in Validation of Predictive Quality of Classification Models within Predictive Challenges // Croatica Chemica Acta, 92 (2019), 3; 226865, 13 doi:10.5562/cca3551
Amić, Ana; Marković, Zoran; Dimitrić Marković, Jasmina M., Milenković, Dejan; Lučić, Bono, The role of guaiacyl moiety in free radical scavenging by 3, 5-dihydroxy-4-methoxybenzyl alcohol: Thermodynamics of 3H+/3e- mechanisms // Molecular physics, 117 (2019), 2; 207-217 doi:10.1080/00268976.2018.1508777
Amić, Ana; Lučić, Bono; Stepanić, Višnja; Marković, Zoran; Marković, Svetlana; Dimitrić Marković, Jasmina; Amić, Dragan, Free radical scavenging potency of quercetin catecholic colonic metabolites: thermodynamics of 2H+/2e- processes // Food chemistry, 218 (2017), 144-151 doi:10.1016/j.foodchem.2016.09.018
Batista, Jadranko; Vikić-Topić, Dražen; Lučić, Bono, The difference between the accuracy of real and the corresponding random model is a useful parameter for validation of two-state classification model quality // Croatica chemica acta, 89 (2016), 4; 527-534 doi:10.5562/cca3117
Filipović, Miloš; Marković, Zoran; Đorović, Jelena; Dimitrić Marković, Jasmina; Lučić, Bono; Amić, Dragan, QSAR of the free radical scavenging potency of selected hydroxybenzoic acids and simple phenolics // Comptes rendus. Chimie, 18 (2015), 5; 492-498 doi:10.1016/j.crci.2014.09.001
Amić, Ana; Marković, Zoran; Dimitrić Marković, Jasmina; Stepanić, Višnja; Lučić, Bono; Amić, Dragan, Towards an improved prediction of the free radical scavenging potency of flavonoids: The significance of double PCET mechanisms // Food chemistry, 152 (2014), 578-585 doi:10.1016/j.foodchem.2013.12.025
Lučić, Bono; Stepanić, Višnja; Plavšić, Dejan; Amić, Ana; Amić, Dragan, Correlation between 13C NMR chemical shifts and antiradical activity of flavonoids // Monatshefte für Chemie, 145 (2014), 3; 457-463 doi:10.1007/s00706-013-1130-4
Stepanić, Višnja; Gall Trošelj, Koraljka; Lučić, Bono; Marković, Zoran; Amić, Dragan, Bond dissociation free energy as a general parameter for flavonoid radical scavenging activity // Food chemistry, 141 (2013), 2; 1562-1570 doi:10.1016/j.foodchem.2013.03.072,
Tanabe, Kazutoshi; Kurita, Takio; Nishida, Kenji; Lučić, Bono; Amić, Dragan; Suzuki, Takahiro, Improvement of carcinogenicity prediction performances based on sensitivity analysis in variable selection of SVM models // SAR and QSAR in environmental research, 24 (2013), 7; 565-580
Lučić, Bono; Sović, Ivan; Batista, Jadranko; Skala, Karolj; Plavšić, Dejan; Vikić-Topić, Dražen; Bešlo, Drago; Nikolić, Sonja; Trinajstić, Nenad, The Sum-Connectivity Index - An Additive Variant of the Randić Connectivity Index // Current computer-aided drug design, 9 (2013), 2; 184-194 doi:10.2174/1573409911309020004
Marković, Zoran; Milenković, Dejan; Đorović, Jelena; Dimitrić Marković, Jasmina; Stepanić, Višnja; Lučić, Bono; Amić, Dragan, PM6 and DFT study of free radical scavenging activity of morin // Food chemistry, 134 (2012), 4; 1754-1760 doi:10.1016/j.foodchem.2012.03.124
Tanabe, Kazutoshi; Lučić, Bono; Amić, Dragan; Kurita, Takio; Kaihara, Mikio; Onodera, Natsuo; Suzuki, Takahiro, Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling // Molecular diversity, 14 (2010), 4; 789-802 doi:10.1007/s11030-010-9232-y
Amić, Dragan; Lučić, Bono, Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids // Bioorganic & medicinal chemistry, 18 (2010), 1; 28-35 doi:10.1016/j.bmc.2009.11.015
Lučić, Bono; Trinajstić, Nenad; Zhou, Bo, Comparison between the sum-connectivity index and product-connectivity index for benzenoid hydrocarbons // Chemical physics letters, 475 (2009), 1-3; 146-148 doi:10.1016/j.cplett.2009.05.022
Amić, Dragan; Davidović-Amić, Dušanka; Bešlo, Drago; Rastija, Vesna; Lučić, Bono; Trinajstić, Nenad, SAR and QSAR of the Antioxidant Activity of Flavonoids // Current Medicinal Chemistry, 14 (2007), 7; 827-845
Piližota, Teuta; Lučić, Bono; Trinajstić, Nenad, Use of variable selection in modeling the secondary structural content of proteins from their composition of amino acid residues // Journal of Chemical Information and Computer Sciences, 44 (2004), 1; 113-121
Lučić, Bono; Nadramija, Damir; Bašic, Ivan; Trinajstić, Nenad, Toward generating simpler QSAR models: Nonlinear multivariate regression versus several neural network ensembles and some related methods // Journal of chemical information and computer sciences, 43 (2003), 4; 1094-1102
Lučić, Bono; Amić, Dragan; Trinajstić, Nenad, Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets // Journal of Chemical Information and Computer Sciences, 40 (2000), 2; 403-413
Lučić, Bono; Trinajstić, Nenad; Sild, S.; Karelson, M.; Katritzky, A.R. A new efficient approach for variable selection based on multiregression : prediction of gas chromatographic retention time and response factors // Journal of chemical information and computer sciences, 39 (1999), 3; 610-621
Lučić, Bono; Trinajstić, Nenad, Multivariate regression outperforms several robust architectures of neural networks in QSAR modeling // Journal of chemical information and computer sciences, 39 (1999), 1; 121-132 doi:10.1021/ci980090f
Juretić, Davor; Zucić, Damir; Lučić, Bono; Trinajstić, Nenad, Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins // Computers & chemistry, 22 (1998), 4; 279-294
Lučić, Bono; Nikolić, Sonja; Trinajstić, Nenad; Juretić, Davor, The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors // Journal of chemical information and computer sciences, 35 (1995), 532-538 doi:10.1021/ci00025a022
