November 23, 2011 article Open access Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development PLoS ONE DOI: 10.1371/journal.pone.0027518 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 7 stored of 55 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 Proteochemometric Modeling Identifies Chemically Diverse Norepinephrine Transporter Inhibitors 2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 8 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 Two-Agent Self-Play 2022 Springer eBooks book-chapter Computer Science Reinforcement Learning in Robotics 0 citations 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 v2: De Novo Design of Drug Molecule by Pareto-based Multi-Objective Reinforcement Learning in Polypharmacology 2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 1 citations DrugEx v2: De Novo Design of Drug Molecule by Pareto-based Multi-Objective Reinforcement Learning in Polypharmacology 2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 0 citations Quantitative prediction of selectivity between the A1 and A2A adenosine receptors 2020 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 25 citations 7 results References 0