molecular representation

April 14, 2023 / Last updated : September 7, 2023 Rudy Potenzone molecular representation

VisMole: a molecular representation based on voxel for molecular property prediction

December 27, 2021 / Last updated : August 8, 2023 Rudy Potenzone Data Extraction

Convolutional neural networks (CNNs): concepts and applications in pharmacogenomicsConvolutional neural networks (CNNs): concepts and applications in pharmacogenomics

December 16, 2021 / Last updated : August 8, 2023 Rudy Potenzone AI/ML

De Novo Molecular Design with Chemical Language Models

December 7, 2020 / Last updated : August 15, 2023 Rudy Potenzone Cheminformatics

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2.

December 6, 2013 / Last updated : August 8, 2023 Rudy Potenzone Cheminformatics

Applications of the InChI in cheminformatics with the CDK and Bioclipse.

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