October 10, 2016 other Open access rdkit/rdkit: 2016_03_5 (Q1 2016) Release Socio-Environmental Systems Modeling DOI: 10.5281/zenodo.1004356 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 10 stored of 457 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 StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs 2026 Journal of Chemical Information and Modeling article Chemistry Chemistry and Stereochemistry Studies Open access 2 citations Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling 2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 8 citations Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists 2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 1 citations Biosynfoni: a biosynthesis-informed and interpretable lightweight molecular fingerprint 2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 4 citations Machine learning inference of natural product chemistry across biosynthetic gene cluster types 2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine Microbial Natural Products and Biosynthesis Open access 4 citations Stability Descriptors for (Benz)imidazolium-Based Anion Exchange Membranes 2024 Macromolecules article Engineering Fuel Cells and Related Materials Open access cited by 1 patent 12 citations Large-Scale Modeling of Sparse Protein Kinase Activity Data 2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 14 citations ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction 2023 ChemRxiv preprint Engineering Phase Equilibria and Thermodynamics Open access 6 citations Large-scale modelling of sparse kinase activitydata 2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 0 citations Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses 2022 Journal of the American Chemical Society article Computer Science Computational Drug Discovery Methods Open access cited by 15 patents 253 citations 10 results References 0