| Classification analysis of P-glycoprotein substrate specificity R Didziapetris, P Japertas, A Avdeef, A Petrauskas Journal of drug targeting 11 (7), 391-406, 2003 | 300 | 2003 |
| Fragmental methods in the design of new compounds. Applications of the advanced algorithm builder P Japertas, R Didziapetris, A Petrauskas Quantitative Structure‐Activity Relationships 21 (1), 23-37, 2002 | 93 | 2002 |
| Ionization-specific prediction of blood–brain permeability K Lanevskij, P Japertas, R Didziapetris, A Petrauskas Journal of pharmaceutical sciences 98 (1), 122-134, 2009 | 72 | 2009 |
| QSAR analysis of blood–brain distribution: the influence of plasma and brain tissue binding K Lanevskij, J Dapkunas, L Juska, P Japertas, R Didziapetris Journal of pharmaceutical sciences 100 (6), 2147-2160, 2011 | 69 | 2011 |
| Estimation of reliability of predictions and model applicability domain evaluation in the analysis of acute toxicity (LD 50) A Sazonovas, P Japertas, R Didziapetris SAR and QSAR in Environmental Research 21 (1-2), 127-148, 2010 | 64 | 2010 |
| Classification structure-activity relations (C-SAR) in prediction of human intestinal absorption D Zmuidinavicius, R Didziapetris, P Japertas, A Avdeef, A Petrauskas Journal of pharmaceutical sciences 92 (3), 621-633, 2003 | 62 | 2003 |
| Ionization-specific analysis of human intestinal absorption DP Reynolds, K Lanevskij, P Japertas, R Didziapetris, A Petrauskas Journal of pharmaceutical sciences 98 (11), 4039-4054, 2009 | 44 | 2009 |
| Improving the prediction of drug disposition in the brain K Lanevskij, P Japertas, R Didziapetris Expert opinion on drug metabolism & toxicology 9 (4), 473-486, 2013 | 38 | 2013 |
| Trainable structure–activity relationship model for virtual screening of CYP3A4 inhibition R Didziapetris, J Dapkunas, A Sazonovas, P Japertas Journal of computer-aided molecular design 24 (11), 891-906, 2010 | 37 | 2010 |
| Progress in toxinformatics: the challenge of predicting acute toxicity D Zmuidinavicius, P Japertas, A Petrauskas, R Didziapetris Current Topics in Medicinal Chemistry 3 (11), 1301, 2003 | 37 | 2003 |
| Fragmental methods in the analysis of biological activities of diverse compound sets P Japertas, R Didziapetris, A Petrauskas Mini reviews in medicinal chemistry 3 (8), 797-808, 2003 | 35 | 2003 |
| Probabilistic prediction of the human CYP3A4 and CYP2D6 metabolism sites J Dapkunas, A Sazonovas, P Japertas Chemistry & biodiversity 6 (11), 2101-2106, 2009 | 22 | 2009 |
| Aqueous acidities of primary benzenesulfonamides: Quantum chemical predictions based on density functional theory and SMD K Aidas, K Lanevskij, R Kubilius, L Juška, D Petkevičius, P Japertas Journal of Computational Chemistry 36 (29), 2158-2167, 2015 | 19 | 2015 |
| In silico technology for identification of potentially toxic compounds in drug discovery R Didziapetris, DP Reynolds, P Japertas, D Zmuidinavicius, A Petrauskas Current Computer-Aided Drug Design 2 (2), 95-103, 2006 | 18 | 2006 |
| Ionization‐specific QSAR models of blood–brain penetration of drugs K Lanevskij, P Japertas, R Didziapetris, A Petrauskas Chemistry & Biodiversity 6 (11), 2050-2054, 2009 | 17 | 2009 |
| Trainable QSAR model of Ames genotoxicity R Didziapetris, K Lanevskij, P Japertas Toxicology Letters, S152-S153, 2008 | 11 | 2008 |
| The 235th ACS National Meeting P Japertas, A Sazonovas, R Didziapetris, A Petrauskas New Orleans, LA, 2008 | 10 | 2008 |
| Prediction of blood–brain barrier penetration by drugs K Lanevskij, P Japertas, R Didziapetris, A Petrauskas Drug delivery to the central nervous system, 63-83, 2010 | 8 | 2010 |
| ACD/Percepta structure design engine: Virtual enumeration and screening of physchem properties for 10 (16) compounds in real time P Japertas, K Lanevskij, A Sazonovas ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | 4 | 2014 |
| DMSO Solubility Prediction P Japertas, P Maas, A Petrauskas LogP 2004. Zurich, Switzerland, 2004 | 4 | 2004 |
