| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/nar/AwaleR14 |
| P356 | DOI | 10.1093/NAR/GKU379 |
| P932 | PMC publication ID | 4086083 |
| P698 | PubMed publication ID | 24782520 |
| P5875 | ResearchGate publication ID | 261998930 |
| P50 | author | Jean-Louis Reymond | Q42719788 |
| Mahendra Awale | Q42720048 | ||
| P2860 | cites work | Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance | Q80784392 |
| Classification of organic molecules by molecular quantum numbers | Q84581148 | ||
| Quo vadis, virtual screening? A comprehensive survey of prospective applications | Q37798544 | ||
| Combination of ligand- and structure-based methods in virtual screening | Q38139474 | ||
| Query Chem: a Google-powered web search combining text and chemical structures | Q38407315 | ||
| Alpha shapes applied to molecular shape characterization exhibit novel properties compared to established shape descriptors | Q42238419 | ||
| ChemDB update--full-text search and virtual chemical space. | Q46257274 | ||
| Novel 2D fingerprints for ligand-based virtual screening | Q46568259 | ||
| Ultrafast shape recognition to search compound databases for similar molecular shapes. | Q51920977 | ||
| Database clustering with a combination of fingerprint and maximum common substructure methods. | Q51972706 | ||
| ZINClick: a database of 16 million novel, patentable, and readily synthesizable 1,4-disubstituted triazoles. | Q54382929 | ||
| Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis | Q27000720 | ||
| Molecular Shape and Medicinal Chemistry: A Perspective | Q27659860 | ||
| JSME: a free molecule editor in JavaScript | Q27702175 | ||
| Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings | Q27861111 | ||
| Chemical Similarity Searching | Q28090770 | ||
| Hit and lead generation: beyond high-throughput screening | Q28204526 | ||
| Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches | Q28290933 | ||
| ChemMine tools: an online service for analyzing and clustering small molecules | Q28530229 | ||
| Approaches to Measure Chemical Similarity– a Review | Q28531485 | ||
| ZINC: a free tool to discover chemistry for biology | Q29615857 | ||
| Extended-connectivity fingerprints | Q29616639 | ||
| Benchmarking sets for molecular docking | Q29619637 | ||
| Exploring chemical space for drug discovery using the chemical universe database | Q30485721 | ||
| "Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening | Q30802763 | ||
| LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters | Q31143138 | ||
| Toward novel universal descriptors: charge fingerprints | Q33444137 | ||
| Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation | Q33525328 | ||
| Cheminformatics approaches to analyze diversity in compound screening libraries. | Q33574187 | ||
| The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections | Q33920633 | ||
| A ‘Rule of Three’ for fragment-based lead discovery? | Q33973131 | ||
| Discovery of α7-nicotinic receptor ligands by virtual screening of the chemical universe database GDB-13. | Q34072990 | ||
| Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices | Q34105486 | ||
| Principles of early drug discovery | Q34150775 | ||
| Reoptimization of MDL keys for use in drug discovery | Q34160151 | ||
| Visualization and virtual screening of the chemical universe database GDB-17. | Q34319038 | ||
| MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. | Q34321436 | ||
| SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules | Q34812628 | ||
| ZINCPharmer: pharmacophore search of the ZINC database | Q36088378 | ||
| P275 | copyright license | Creative Commons Attribution 3.0 Unported | Q14947546 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | Web Server issue | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | web browser | Q6368 |
| database | Q8513 | ||
| ZINC database | Q8063109 | ||
| P304 | page(s) | W234-9 | |
| P577 | publication date | 2014-04-29 | |
| P1433 | published in | Nucleic Acids Research | Q135122 |
| P1476 | title | A multi-fingerprint browser for the ZINC database | |
| P478 | volume | 42 |
| Q47424759 | Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries |
| Q38792240 | Chemical Genetics in Dissecting Membrane Glycerolipid Functions |
| Q114873664 | Chemical similarity methods for analyzing secondary metabolite structures |
| Q52630958 | Identification of potent and selective small molecule inhibitors of the cation channel TRPM4. |
| Q36251047 | Improved fluorescence assays to measure the defects associated with F508del-CFTR allow identification of new active compounds |
| Q52682510 | In silico and crystallographic studies identify key structural features of biliverdin IXβ reductase inhibitors having nanomolar potency. |
| Q35597960 | MTiOpenScreen: a web server for structure-based virtual screening. |
| Q38240827 | Molecular fingerprint similarity search in virtual screening |
| Q38828670 | Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method |
| Q41095678 | Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space |
| Q55093753 | Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds. |
| Q27902356 | Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints |
| Q31172453 | The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data |
| Q28275104 | USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques |
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