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Molecular Informatics|June 16, 2025
Spherical GTM: A New Proposition for Visualization of Chemical DataFarah Asgarkhanova, Marcou Gilles, Mikhail Volkov, et al.Regulatory Toxicology and Pharmacology : RTP|April 17, 2024
Benchmarking of BMDC assay and related QSAR study for identifying sensitizing chemicalsLisa Chedik, Shamkhal Baybekov, Gilles Marcou, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
Quantitative structure-property relationship modeling of beta-cyclodextrin complexation free energiesAlan R Katritzky, Dan C Fara, Hongfang Yang, et al.ACS Central Science|June 27, 2022
Toward in Silico Modeling of Dynamic Combinatorial LibrariesIuri Casciuc, Artem Osypenko, Bohdan Kozibroda, et al.Chemmedchem|March 8, 2016
Redox Polypharmacology as an Emerging Strategy to Combat Malarial ParasitesPavel Sidorov, Israel Desta, Matthieu Chessé, et al.Molecular Informatics|August 6, 2016
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional MoleculesMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.Bioorganic & Medicinal Chemistry|October 6, 2005
QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptorsAlan R Katritzky, Minati Kuanar, Dan C Fara, et al.Journal of Chemical Information and Modeling|May 8, 2019
CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction ProcessingRamil I Nugmanov, Ravil N Mukhametgaleev, Tagir Akhmetshin, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2015
Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: redox behavior predictionsMourad Elhabiri, Pavel Sidorov, Elena Cesar-Rodo, et al.Molecular Informatics|April 22, 2026
Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship ModelingFarah Asgarkhanova, Shamkhal Baybekov, Gilles Marcou, et al.Pageof 16