February 21, 2024 article Open access Reinvent 4: Modern AI–driven generative molecule design Journal of Cheminformatics DOI: 10.1186/s13321-024-00812-5 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 3 stored of 315 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 In Search of Beautiful Molecules: A Perspective on Generative Modeling for Drug Design 2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 37 citations AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application 2024 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 55 citations 3 results References 3 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 Designing for a green chemistry future 2020 Science article Environmental Science Chemistry and Chemical Engineering cited by 2 patents 1,259 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 Artificial intelligence in multi-objective drug design 2023 Current Opinion in Structural Biology review Computer Science Computational Drug Discovery Methods Open access 91 citations 3 results