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Publications by Ola Engkvist

Molecular De-Novo Design Through Deep Reinforcement Learning

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2017English

Combining Structural and Bioactivity-Based Fingerprints Improves Prediction Performance and Scaffold Hopping Capability

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2019English

Does ‘Big Data’ Exist in Medicinal Chemistry, and if So, How Can It Be Harnessed?

Future Medicinal Chemistry
Drug DiscoveryMolecular MedicinePharmacology
2016English

Exploring the GDB-13 Chemical Space Using Deep Generative Models

2018English

Randomized SMILES Strings Improve the Quality of Molecular Generative Models

2019English

A De Novo Molecular Generation Method Using Latent Vector Based Generative Adversarial Network

2019English

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