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Publications by Ola Engkvist
Molecular De-Novo Design Through Deep Reinforcement Learning
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Combining Structural and Bioactivity-Based Fingerprints Improves Prediction Performance and Scaffold Hopping Capability
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Does ‘Big Data’ Exist in Medicinal Chemistry, and if So, How Can It Be Harnessed?
Future Medicinal Chemistry
Drug Discovery
Molecular Medicine
Pharmacology
Exploring the GDB-13 Chemical Space Using Deep Generative Models
Randomized SMILES Strings Improve the Quality of Molecular Generative Models
A De Novo Molecular Generation Method Using Latent Vector Based Generative Adversarial Network