Structurally diverse quantitative structure− property relationship correlations of technologically relevant physical properties AR Katritzky, U Maran, VS Lobanov, M Karelson Journal of chemical information and computer sciences 40 (1), 1-18, 2000 | 343 | 2000 |
The autoimmune regulator PHD finger binds to non‐methylated histone H3K4 to activate gene expression T Org, F Chignola, C Hetényi, M Gaetani, A Rebane, I Liiv, U Maran, ... EMBO reports 9 (4), 370-376, 2008 | 287 | 2008 |
Perspective on the relationship between melting points and chemical structure AR Katritzky, R Jain, A Lomaka, R Petrukhin, U Maran, M Karelson Crystal Growth & Design 1 (4), 261-265, 2001 | 240 | 2001 |
CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 159 | 2020 |
Interpretation of quantitative structure− property and− activity relationships AR Katritzky, R Petrukhin, D Tatham, S Basak, E Benfenati, M Karelson, ... Journal of chemical information and computer sciences 41 (3), 679-685, 2001 | 155 | 2001 |
QSPR correlation and predictions of GC retention indexes for methyl-branched hydrocarbons produced by insects AR Katritzky, K Chen, U Maran, DA Carlson Analytical chemistry 72 (1), 101-109, 2000 | 143 | 2000 |
A general treatment of solubility. 1. The QSPR correlation of solvation free energies of single solutes in series of solvents AR Katritzky, AA Oliferenko, PV Oliferenko, R Petrukhin, DB Tatham, ... Journal of chemical information and computer sciences 43 (6), 1794-1805, 2003 | 120 | 2003 |
The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors AR Katritzky, DC Fara, RO Petrukhin, DB Tatham, U Maran, A Lomaka, ... Current Topics in Medicinal Chemistry 2 (12), 1333-1356, 2002 | 116 | 2002 |
Theoretical descriptors for the correlation of aquatic toxicity of environmental pollutants by quantitative structure-toxicity relationships AR Katritzky, DB Tatham, U Maran Journal of chemical information and computer sciences 41 (5), 1162-1176, 2001 | 105 | 2001 |
Prediction of melting points for the substituted benzenes: A QSPR approach AR Katritzky, U Maran, M Karelson, VS Lobanov Journal of chemical information and computer sciences 37 (5), 913-919, 1997 | 99 | 1997 |
QSPR and QSAR models derived using large molecular descriptor spaces. A review of CODESSA applications M Karelson, U Maran, Y Wang, AR Katritzky Collection of Czechoslovak Chemical Communications 64 (10), 1551-1571, 1999 | 98 | 1999 |
A comprehensive QSAR treatment of the genotoxicity of heteroaromatic and aromatic amines U Maran, M Karelson, AR Katritzky Quantitative Structure‐Activity Relationships 18 (1), 03-10, 1999 | 93 | 1999 |
About the mutagenicity of chlorine-substituted furanones and halopropenals. A QSAR study using molecular orbital indices K Tuppurainen, S Lötjönen, R Laatikainen, T Vartiainen, U Maran, ... Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis 247 (1 …, 1991 | 92 | 1991 |
QSAR DataBank repository: open and linked qualitative and quantitative structure–activity relationship models V Ruusmann, S Sild, U Maran Journal of Cheminformatics 7, 1-11, 2015 | 85 | 2015 |
Natural Variation in Arabidopsis Cvi-0 Accession Reveals an Important Role of MPK12 in Guard Cell CO2 Signaling L Jakobson, L Vaahtera, K Toldsepp, M Nuhkat, C Wang, YS Wang, ... PLoS biology 14 (12), e2000322, 2016 | 83 | 2016 |
Best practices for QSAR model reporting: physical and chemical properties, ecotoxicity, environmental fate, human health, and toxicokinetics endpoints G Piir, I Kahn, AT García-Sosa, S Sild, P Ahte, U Maran Environmental health perspectives 126 (12), 126001, 2018 | 71 | 2018 |
Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata V Aruoja, M Moosus, A Kahru, M Sihtmäe, U Maran Chemosphere 96, 23-32, 2014 | 71 | 2014 |
Description of the electronic structure of organic chemicals using semiempirical and ab initio methods for development of toxicological QSARs TI Netzeva, AO Aptula, E Benfenati, MTD Cronin, G Gini, I Lessigiarska, ... Journal of chemical information and modeling 45 (1), 106-114, 2005 | 65 | 2005 |
Drug efficiency indices for improvement of molecular docking scoring functions AT García‐Sosa, C Hetényi, U Maran Journal of computational chemistry 31 (1), 174-184, 2010 | 64 | 2010 |
Design of multi-binding-site inhibitors, ligand efficiency, and consensus screening of avian influenza H5N1 wild-type neuraminidase and of the oseltamivir-resistant H274Y variant AT García-Sosa, S Sild, U Maran Journal of chemical information and modeling 48 (10), 2074-2080, 2008 | 59 | 2008 |