August 25, 2023 preprint Open access Multi-Objective and Many-Objective Optimisation: Present and Future in de novo Drug Design ChemRxiv DOI: 10.26434/chemrxiv-2023-q0zdf Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 2 References 6 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 Artificial intelligence in multi-objective drug design 2023 Current Opinion in Structural Biology review Computer Science Computational Drug Discovery Methods Open access 91 citations UnCorrupt SMILES: a novel approach to de novo design 2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 38 citations DrugEx v3: Scaffold-Constrained Drug Design with Graph Transformer-based Reinforcement Learning 2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 11 citations UnCorrupt SMILES: a novel approach to de novo design 2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 3 citations 6 results