Igor I Baskin

10PUBLICATIONS
30CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designContext learningComputational chemistryData visualisation and computational (incl. parametric and generative) design
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Publications (10)

|Oct 15, 2024
Chemoinformatics for corrosion science: Data-driven modeling of corrosion inhibition by organic molecules.

Igor Baskin, Yair Ein-Eli

|Sep 23, 2021
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach.

Dmitry V Zankov, Mariia Matveieva, Aleksandra V Nikonenko

|Feb 19, 2021
Practical constraints with machine learning in drug discovery.

Igor I Baskin

|Feb 19, 2021
Cross-validation strategies in QSPR modelling of chemical reactions.

A Rakhimbekova, T N Akhmetshin, G I Minibaeva

|Jul 11, 2020
Autoignition temperature: comprehensive data analysis and predictive models.

I I Baskin, S Lozano, M Durot

|May 23, 2020
Correction: QSAR without borders.

Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan

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Frequent Collaborators

6 joint publications

Alexandre Varnek

3 joint publications

Ramil I Nugmanov

3 joint publications

Timur I Madzhidov

2 joint publications

Dragos Horvath