| scholarly article | Q13442814 |
| P356 | DOI | 10.2174/156802612804910287 |
| P953 | full work available at URL | http://www.diva-portal.org/smash/get/diva2:564767/FULLTEXT01.pdf |
| P3181 | OpenCitations bibliographic resource ID | 4163174 |
| P698 | PubMed publication ID | 23110533 |
| P50 | author | Egon Willighagen | Q20895241 |
| Ola Spjuth | Q27061853 | ||
| Martin Eklund | Q28854723 | ||
| Jonathan Alvarsson | Q28865170 | ||
| Lars Carlsson | Q28923506 | ||
| Valentin Georgiev | Q43370303 | ||
| P2860 | cites work | An evaluation of the implementation of the Cramer classification scheme in the Toxtree software | Q52227990 |
| Importance of Physicochemical Properties for the Design of New Pesticides | Q52709939 | ||
| Services for prediction of drug susceptibility for HIV proteases and reverse transcriptases at the HIV drug research centre. | Q54596511 | ||
| Fast Prediction of Cytochrome P450 Mediated Drug Metabolism | Q56975711 | ||
| Similarity search profiling reveals effects of fingerprint scaling in virtual screening | Q81035518 | ||
| Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity | Q93646736 | ||
| Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on | Q21092921 | ||
| Bioclipse: an open source workbench for chemo- and bioinformatics | Q21093640 | ||
| Bioclipse 2: a scriptable integration platform for the life sciences | Q21284369 | ||
| XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services | Q21284376 | ||
| Thousands of chemical starting points for antimalarial lead identification | Q24289329 | ||
| Cytoscape: a software environment for integrated models of biomolecular interaction networks | Q24515682 | ||
| Linked open drug data for pharmaceutical research and development | Q24607780 | ||
| DrugBank 3.0: a comprehensive resource for 'omics' research on drugs | Q24612505 | ||
| ChEBI: a database and ontology for chemical entities of biological interest | Q24650818 | ||
| Chemical Name to Structure: OPSIN, an Open Source Solution | Q26481104 | ||
| The Chemical Information Ontology: provenance and disambiguation for chemical data on the biological semantic web | Q27062312 | ||
| The Blue Obelisk-interoperability in chemical informatics | Q27062363 | ||
| Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics | Q27065423 | ||
| Towards interoperable and reproducible QSAR analyses: Exchange of datasets | Q27134746 | ||
| Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse | Q27144529 | ||
| Collaborative development of predictive toxicology applications | Q27162585 | ||
| Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors | Q27654099 | ||
| Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings | Q27861111 | ||
| Activation of the aryl hydrocarbon receptor by structurally diverse exogenous and endogenous chemicals | Q28204565 | ||
| Do structurally similar molecules have similar biological activity? | Q28220975 | ||
| Taverna: a tool for the composition and enactment of bioinformatics workflows | Q28267254 | ||
| myExperiment: a repository and social network for the sharing of bioinformatics workflows | Q28283335 | ||
| ChEMBL: a large-scale bioactivity database for drug discovery | Q28315179 | ||
| Galaxy: a platform for interactive large-scale genome analysis | Q29547494 | ||
| The Gaggle: an open-source software system for integrating bioinformatics software and data sources | Q30353531 | ||
| Predicting in vivo drug interactions from in vitro drug discovery data | Q31011412 | ||
| Brunn: an open source laboratory information system for microplates with a graphical plate layout design process | Q31012969 | ||
| In silico prediction of drug toxicity | Q31165898 | ||
| Derivation and validation of toxicophores for mutagenicity prediction | Q33210597 | ||
| Optimizing the use of open-source software applications in drug discovery | Q33236305 | ||
| Development of reliable aqueous solubility models and their application in druglike analysis | Q33287713 | ||
| Interpretation of nonlinear QSAR models applied to Ames mutagenicity data | Q33510232 | ||
| ISYS: a decentralized, component-based approach to the integration of heterogeneous bioinformatics resources | Q33935626 | ||
| High-throughput screening: new technology for the 21st century | Q34014382 | ||
| The case for open-source software in drug discovery | Q36039834 | ||
| ADME optimization and toxicity assessment in early- and late-phase drug discovery | Q37595560 | ||
| Non-linear modeling and chemical interpretation with aid of support vector machine and regression | Q37725040 | ||
| Fragment Descriptors in Structure–Property Modeling and Virtual Screening | Q37788604 | ||
| Integrated decision support for assessing chemical liabilities | Q42609901 | ||
| On the interpretation and interpretability of quantitative structure-activity relationship models | Q46375027 | ||
| Generating conformer ensembles using a multiobjective genetic algorithm | Q46984308 | ||
| ADME evaluation in drug discovery. 10. Predictions of P-glycoprotein inhibitors using recursive partitioning and naive Bayesian classification techniques. | Q51590505 | ||
| Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods. | Q51963838 | ||
| P433 | issue | 18 | |
| P921 | main subject | drug discovery | Q1418791 |
| Bioclipse | Q1769726 | ||
| open source | Q39162 | ||
| open-source software | Q1130645 | ||
| open-source drug discovery | Q75769121 | ||
| P1104 | number of pages | 7 | |
| P304 | page(s) | 1980-1986 | |
| P577 | publication date | 2012-01-01 | |
| P1433 | published in | Current Topics in Medicinal Chemistry | Q2734725 |
| P1476 | title | Open source drug discovery with Bioclipse | |
| P478 | volume | 12 |
| Q21092920 | Applications of the InChI in cheminformatics with the CDK and Bioclipse |
| Q44978924 | Benchmarking study of parameter variation when using signature fingerprints together with support vector machines |
| Q28654673 | Bigger data, collaborative tools and the future of predictive drug discovery |
| Q56914129 | ChemInform Abstract: Open Source Drug Discovery with Bioclipse |
| Q30681280 | Fusing dual-event data sets for Mycobacterium tuberculosis machine learning models and their evaluation |
| Q38386542 | In silico methods for predicting drug-drug interactions with cytochrome P-450s, transporters and beyond |
| Q27902338 | Large-scale ligand-based predictive modelling using support vector machines |
| Q38173202 | Progress in computational toxicology |
| Q30149558 | The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching |
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