May 30, 2024 article Open access MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design Journal of Cheminformatics DOI: 10.1186/s13321-024-00861-w Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 2 stored of 36 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 GraphXForm: graph transformer for computer-aided molecular design 2025 Digital Discovery article Computer Science Computational Drug Discovery Methods Open access 9 citations 2 results References 2 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 DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology 2021 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access cited by 1 patent 118 citations DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning 2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 91 citations 2 results