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Tiago Janela

Showing results (1-10 of 6) with videos related to

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Journal of Chemical Information and Modeling|November 9, 2023
Anatomy of Potency Predictions Focusing on Structural Analogues with Increasing Potency Differences Including Activity CliffsTiago Janela, Jürgen Bajorath
Pharmaceuticals (Basel, Switzerland)|April 28, 2023
Large-Scale Predictions of Compound Potency with Original and Modified Activity Classes Reveal General Prediction Characteristics and Intrinsic Limitations of Conventional Benchmarking CalculationsTiago Janela, Jürgen Bajorath
Scientific Reports|October 19, 2023
Rationalizing general limitations in assessing and comparing methods for compound potency predictionTiago Janela, Jürgen Bajorath
Biomolecules|February 25, 2023
Predicting Potent Compounds Using a Conditional Variational Autoencoder Based upon a New Structure-Potency FingerprintTiago Janela, Kosuke Takeuchi, Jürgen Bajorath
Molecules (Basel, Switzerland)|April 12, 2022
Introducing a Chemically Intuitive Core-Substituent Fingerprint Designed to Explore Structural Requirements for Effective Similarity Searching and Machine LearningTiago Janela, Kosuke Takeuchi, Jürgen Bajorath
IEEE Computer Graphics and Applications|May 27, 2026
From Prediction to Insight: Visual Analytics for Understanding Compound Potency ModelsBahavathy Kathirgamanathan, Tiago Janela, Elena Xerxa, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|November 9, 2023
Anatomy of Potency Predictions Focusing on Structural Analogues with Increasing Potency Differences Including Activity CliffsTiago Janela, Jürgen Bajorath
Pharmaceuticals (Basel, Switzerland)|April 28, 2023
Large-Scale Predictions of Compound Potency with Original and Modified Activity Classes Reveal General Prediction Characteristics and Intrinsic Limitations of Conventional Benchmarking CalculationsTiago Janela, Jürgen Bajorath
Scientific Reports|October 19, 2023
Rationalizing general limitations in assessing and comparing methods for compound potency predictionTiago Janela, Jürgen Bajorath
Biomolecules|February 25, 2023
Predicting Potent Compounds Using a Conditional Variational Autoencoder Based upon a New Structure-Potency FingerprintTiago Janela, Kosuke Takeuchi, Jürgen Bajorath
Molecules (Basel, Switzerland)|April 12, 2022
Introducing a Chemically Intuitive Core-Substituent Fingerprint Designed to Explore Structural Requirements for Effective Similarity Searching and Machine LearningTiago Janela, Kosuke Takeuchi, Jürgen Bajorath
IEEE Computer Graphics and Applications|May 27, 2026
From Prediction to Insight: Visual Analytics for Understanding Compound Potency ModelsBahavathy Kathirgamanathan, Tiago Janela, Elena Xerxa, et al.
Pageof 1