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Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from WikipediaVirtual Computational Chemistry Laboratory – Design and DescriptionMolecular structure input on the webEstimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributionsJSME: a free molecule editor in JavaScriptThe Molecule Cloud - compact visualization of large collections of moleculesOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationNatural product-likeness score revisited: an open-source, open-data implementationFast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport PropertiesCharting biologically relevant chemical space: a structural classification of natural products (SCONP)World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches.Computational modeling of a binding conformation of the intermediate L-histidinal to histidinol dehydrogenase.Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds.Applications of self-organizing neural networks in virtual screening and diversity selection.Bioactivity-guided mapping and navigation of chemical space.Compound set enrichment: a novel approach to analysis of primary HTS data.Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening data.Evolution of the physicochemical properties of marketed drugs: can history foretell the future?Gazing into the crystal ball; the future of computer-aided drug design.Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis.Complex molecules: do they add value?Building Compound Archives for the Future.Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products.In silico identification of bioisosteric functional groups.Computational approaches to determine drug solubility.Designing drugs on the internet? Free web tools and services supporting medicinal chemistry.Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugs.The scaffold tree: an efficient navigation in the scaffold universe.Computational analysis of structure-activity relationships.The graphical representation of ADME-related molecule properties for medicinal chemists.Visualization of chemical space for medicinal chemists.Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization.Diastereomeric ecdysteroids with a cyclic hemiacetal in the side chain produced by cytochrome P450 in hormonally resistant insect cells.An algorithm to identify functional groups in organic molecules.Intuitive ordering of scaffolds and scaffold similarity searching using scaffold keys.Natural product-likeness score and its applications in the drug discovery process.BIOS: Similarity-based design of natural product derived compound collections.Unique macrocycles in the Taiwan traditional Chinese medicine database.The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification.
P50
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P50
description
(1959–) szlovák kémikus
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científicu eslovacu
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hulumtues
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researcher
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słowacki naukowiec
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taighdeoir
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հետազոտող
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name
Peter Ertl
@ast
Peter Ertl
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Peter Ertl
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Peter Ertl
@fr
Peter Ertl
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Peter Ertl
@hu
Peter Ertl
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Peter Ertl
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type
label
Peter Ertl
@ast
Peter Ertl
@en
Peter Ertl
@es
Peter Ertl
@fr
Peter Ertl
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Peter Ertl
@hu
Peter Ertl
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Peter Ertl
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prefLabel
Peter Ertl
@ast
Peter Ertl
@en
Peter Ertl
@es
Peter Ertl
@fr
Peter Ertl
@ga
Peter Ertl
@hu
Peter Ertl
@nl
Peter Ertl
@sl
P106
P19
P1960
_UgR8v8AAAAJ
P21
P2456
P27
P31
P4012
P496
0000-0001-6496-4448
P569
1959-06-28T00:00:00Z