QSAR DataBank repository: open and linked qualitative and quantitative structure–activity relationship models von Ruusmann, V, Sild, S, Maran, U

Volltext

pH-permeability profiles for drug substances: Experimental detection, comparison with human intestinal absorption and modelling von Oja, Mare, Maran, Uko

Volltext

P05-01 Ensuring in silico models for toxicology are FAIR von Cronin, M.T., Basiri, H., Belfield, S.J., Enoch, S.J., Firman, J.W., Hardy, B., Madden, J.C., Maran, U., Piir, G., Sild, S.

Volltext

Drug efficiency indices for improvement of molecular docking scoring functions von García-Sosa, Alfonso T, Hetényi, Csaba, Maran, Uko

Volltext

The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity von Colombo, Andrea, Benfenati, Emilio, Karelson, Mati, Maran, Uko

Volltext

Non-Linear QSAR Treatment of Genotoxicity von Karelson, M., Sild, S., Maran, U.

Volltext

Perspective on the Relationship between Melting Points and Chemical Structure von Katritzky, Alan R, Jain, Ritu, Lomaka, Andre, Petrukhin, Ruslan, Maran, Uko, Karelson, Mati

Volltext

Structure-based calculation of drug efficiency indices von Hetényi, Csaba, Maran, Uko, García-Sosa, Alfonso T., Karelson, Mati

Volltext

Combination of a Modified Scoring Function with Two-Dimensional Descriptors for Calculation of Binding Affinities of Bulky, Flexible Ligands to Proteins von Hetényi, Csaba, Paragi, Gábor, Maran, Uko, Timár, Zoltán, Karelson, Mati, Penke, Botond

Volltext

QSPR Correlation and Predictions of GC Retention Indexes for Methyl-Branched Hydrocarbons Produced by Insects von Katritzky, Alan R, Chen, Ke, Maran, Uko, Carlson, David A

Volltext

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants von Kahn, Iiris, Fara, Dan, Karelson, Mati, Maran, Uko, Andersson, Patrik L

Volltext

Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties von Katritzky, Alan R, Maran, Uko, Lobanov, Victor S, Karelson, Mati

Volltext

Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs von Netzeva, Tatiana I, Aptula, Aynur O, Benfenati, Emilio, Cronin, Mark T. D, Gini, Giuseppina, Lessigiarska, Iglika, Maran, Uko, Vračko, Marjan, Schüürmann, Gerrit

Volltext

Comparative quantitative structure-activity-activity relationships for toxicity to Tetrahymena pyriformis and Pimephales promelas von Kahn, I, Maran, U, Benfenati, E, Netzeva, T.I, Schultz, T.W, Cronin, M.T.D

Volltext

A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents von Katritzky, Alan R, Tulp, Indrek, Fara, Dan C, Lauria, Antonino, Maran, Uko, Acree, William E

Volltext

QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds von Maran, Uko, Slid, Sulev

Volltext

Interpretation of Quantitative Structure−Property and −Activity Relationships von Katritzky, Alan R, Petrukhin, Ruslan, Tatham, Douglas, Basak, Subhash, Benfenati, Emilio, Karelson, Mati, Maran, Uko

Volltext

A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents von Katritzky, Alan R, Oliferenko, Alexander A, Oliferenko, Polina V, Petrukhin, Ruslan, Tatham, Douglas B, Maran, Uko, Lomaka, Andre, Acree, William E

Volltext

183 Prediction of acute aquatic toxicity to fish comparing different QSAR approaches von Roncaglioni, A., Colombo, A., Maran, U., karelson, M., Benfenati, E.

Volltext

Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships von Katritzky, Alan R, Tatham, Douglas B, Maran, Uko

Volltext