January 01, 2019 article Open access A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space Chemical Science DOI: 10.1039/c8sc05372c Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 365 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Scaffold-based evaluation metrics for fair comparison of molecular generators 2026 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 1 citations Towards sustainable exploration of chemical spaces with machine learning 2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 0 citations Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start 2025 Journal of Chemical Information and Modeling article Engineering Process Optimization and Integration Open access 0 citations GraphXForm: graph transformer for computer-aided molecular design 2025 Digital Discovery article Computer Science Computational Drug Discovery Methods Open access 9 citations GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics 2021 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 23 citations 5 results References 0