| scholarly article | Q13442814 |
| P50 | author | Sereina Riniker | Q24013775 |
| Anang A. Shelat | Q56223986 | ||
| Gregory A. Landrum | Q42716526 | ||
| Floriane Montanari | Q43370852 | ||
| P2093 | author name string | W Patrick Walters | |
| Johanna M Jansen | |||
| Julie Maier | |||
| Santiago D Villalba | |||
| P2860 | cites work | Review of the clinical pharmacokinetics of artesunate and its active metabolite dihydroartemisinin following intravenous, intramuscular, oral or rectal administration | Q21034080 |
| Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests | Q22673963 | ||
| Thousands of chemical starting points for antimalarial lead identification | Q24289329 | ||
| Global phenotypic screening for antimalarials | Q26824875 | ||
| Recent advances in malaria drug discovery | Q27010534 | ||
| Antimalarial drug discovery - approaches and progress towards new medicines. | Q27693245 | ||
| Human malaria parasites in continuous culture | Q28131626 | ||
| A Teach-Discover-Treat Application of ZincPharmer: An Online Interactive Pharmacophore Modeling and Virtual Screening Tool | Q28547139 | ||
| Open-source platform to benchmark fingerprints for ligand-based virtual screening | Q28681290 | ||
| New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays | Q29615588 | ||
| Prediction of biological activity for high-throughput screening using binary kernel discrimination. | Q52053492 | ||
| Stacked generalization | Q56058040 | ||
| Extremely randomized trees | Q56221779 | ||
| Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets | Q56337260 | ||
| Treatment and Prevention of Malaria | Q58828673 | ||
| Extended-connectivity fingerprints | Q29616639 | ||
| Chemical genetics of Plasmodium falciparum | Q29617272 | ||
| Teach-Discover-Treat (TDT): collaborative computational drug discovery for neglected diseases | Q30485753 | ||
| New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching | Q31035059 | ||
| Molecular similarity: a key technique in molecular informatics | Q31126264 | ||
| Streamlining lead discovery by aligning in silico and high-throughput screening | Q33248993 | ||
| How similar are those molecules after all? Use two descriptors and you will have three different answers | Q34347842 | ||
| Why do we need so many chemical similarity search methods? | Q35053182 | ||
| Designing screens: how to make your hits a hit. | Q35096198 | ||
| The origins of antimalarial drug resistance | Q35911992 | ||
| There is no such thing as 'diversity'! | Q36153682 | ||
| Antimalarial drug resistance: a review of the biology and strategies to delay emergence and spread | Q36722524 | ||
| Antimalarial drug discovery - the path towards eradication. | Q37449662 | ||
| Performance of machine learning methods for ligand-based virtual screening | Q37481577 | ||
| Back to the future: lessons learned in modern target-based and whole-cell lead optimization of antimalarials. | Q37975527 | ||
| Malaria medicines: a glass half full? | Q38497838 | ||
| Simple and inexpensive fluorescence-based technique for high-throughput antimalarial drug screening. | Q40815903 | ||
| The properties of known drugs. 1. Molecular frameworks | Q40933327 | ||
| Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing. | Q45958380 | ||
| Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds | Q47243773 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P4510 | describes a project that uses | NumPy | Q197520 |
| scikit-learn | Q1026367 | ||
| Jupyter notebook file | Q70357595 | ||
| P921 | main subject | malaria | Q12156 |
| workflow | Q627335 | ||
| P304 | page(s) | 1136 | |
| P577 | publication date | 2017-07-17 | |
| P1433 | published in | F1000Research | Q27701587 |
| P1476 | title | Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria | |
| P478 | volume | 6 |
| Q50029498 | 3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery. |
| Q94506762 | Identification of novel antiplasmodial compound by hierarquical virtual screening and in vitro assays |
| Q50013783 | Optimal Design of Experiments by Combining Coarse and Fine Measurements. |
| Q64067149 | TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data |
| Q94335553 | Towards reproducible computational drug discovery |
| Q92657309 | Virtual Screening Techniques in Drug Discovery: Review and Recent Applications |
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