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GENERATIVE TOPOGRAPHIC MAPPING OF CONFORMATIONAL SPACE

TRANSDUCTION LEARNING IN QSAR: AN EFFICIENT WAY TO BUILD THE MODELS ON SMALL DATA SETS

QSPR MODELING OF TAUTOMERIC EQUILIBRIA USING LOCAL DESCRIPTORS

Generative topographic mapping approach to chemical space analysis

Electrochemical Properties of Substituted 2-Methyl-1,4-Naphthoquinones: Redox Behavior Predictions

Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: Redox behavior predictions

Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: Redox behavior predictions

Stargate GTM: Bridging Descriptor and Activity Spaces.g., structural descriptor space and activity space) are linked through a common 2D latent space. In the S

AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis

Chemical data visualization and analysis with incremental generative topographic mapping: Big data challenge

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