Tiago Janela

3PUBLICATIONS
1CO-AUTHORS
Cheminformatics and quantitative structure-activity relationships
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Publications (3)

|Apr 28, 2023
Large-Scale Predictions of Compound Potency with Original and Modified Activity Classes Reveal General Prediction Characteristics and Intrinsic Limitations of Conventional Benchmarking Calculations.

Tiago Janela, Jürgen Bajorath

|Feb 25, 2023
Predicting Potent Compounds Using a Conditional Variational Autoencoder Based upon a New Structure-Potency Fingerprint.

Tiago Janela, Kosuke Takeuchi, Jürgen Bajorath

|Apr 12, 2022
Introducing a Chemically Intuitive Core-Substituent Fingerprint Designed to Explore Structural Requirements for Effective Similarity Searching and Machine Learning.

Tiago Janela, Kosuke Takeuchi, Jürgen Bajorath

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Frequent Collaborators

3 joint publications

Jürgen Bajorath