Alexandre Varnek

83PUBLICATIONS

107CO-AUTHORS

Adversarial machine learningChemical and thermal processes in energy and combustionChemical thermodynamics and energeticsOpen accessTheoretical quantum chemistry

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Publications (83)

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|Jul 07, 2026

In Silico ADMET: From Current Practices to Novel Profilers.

|Jun 02, 2026

Catalytic Asymmetric Hydration of Alkenes.

|Apr 27, 2026

Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path Networks.

|Apr 22, 2026

Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship Modeling.

|Mar 26, 2026

Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping.

Louis Plyer, Alexey A Orlov, Tagir N Akhmetshin

|Mar 16, 2026

Toward Reaction Vessel Mimicry: Machine Learning-Assisted Automated Exploration of Alkene Polymerization and Its Transferability.

Sagar Ghorai, Ruben Staub, Yu Harabuchi

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Frequent Collaborators

35 joint publications

Gilles Marcou

26 joint publications

Dragos Horvath

11 joint publications

Timur Madzhidov

Satoshi Maeda

Igor I Baskin

Timur R Gimadiev

Ramil Nugmanov

Tagir N Akhmetshin

F Lunghini

E Van Miert

Frequent Collaborators

35 joint publications

Gilles Marcou

26 joint publications

Dragos Horvath

11 joint publications

Timur Madzhidov

7 joint publications

Satoshi Maeda