| human | Q5 |
| P2456 | DBLP author ID | 10/4531 |
| P6178 | Dimensions author ID | 01127223260.25 |
| P1960 | Google Scholar author ID | _UgR8v8AAAAJ |
| P496 | ORCID iD | 0000-0001-6496-4448 |
| P3368 | Prabook ID | 336892 |
| P1153 | Scopus author ID | 7003631036 |
| P4012 | Semantic Scholar author ID | 9813342 |
| P10861 | Springer Nature person ID | 01127223260.25 |
| P27 | country of citizenship | Slovakia | Q214 |
| P69 | educated at | Comenius University | Q31392 |
| P108 | employer | Novartis | Q507154 |
| Ciba-Geigy | Q21278763 | ||
| P734 | family name | Ertl | Q21504813 |
| Ertl | Q21504813 | ||
| Ertl | Q21504813 | ||
| P735 | given name | Peter | Q2793400 |
| Peter | Q2793400 | ||
| P1412 | languages spoken, written or signed | Slovak | Q9058 |
| P106 | occupation | scientist | Q901 |
| P21 | sex or gender | male | Q6581097 |
| Q93057336 | 5,5- and 5,6-Membered Spirocyclic Indolinone Hit-Finding Libraries |
| Q63349873 | A Systematic Cheminformatics Analysis of Functional Groups Occurring in Natural Products |
| Q56919264 | A quantum-chemical study of structure of H3O+ in electronically excited states |
| Q42931952 | An algorithm to identify functional groups in organic molecules |
| Q33264559 | Applications of self-organizing neural networks in virtual screening and diversity selection |
| Q47109154 | BIOS: Similarity-based design of natural product derived compound collections |
| Q33475595 | Bioactivity-guided mapping and navigation of chemical space. |
| Q38910044 | Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization |
| Q50670958 | Boosting Pose Ranking Performance via Rescoring with MM-GBSA. |
| Q36199511 | Building Compound Archives for the Future |
| Q56919176 | C2H4B2N2: a prediction of ring and chain [boron-nitrogen-carbon] compounds |
| Q56919237 | Calculation of energies of excited states with MNDO CI method |
| Q30351855 | Charting biologically relevant chemical space: a structural classification of natural products (SCONP) |
| Q56918990 | Cheminformatic Analysis of Natural Products and their Chemical Space |
| Q90593125 | Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria |
| Q56919074 | Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-Like Bioisosteric Groups |
| Q56032354 | Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups |
| Q37139650 | Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugs |
| Q56918909 | Chiral Cliffs: Investigating the Influence of Chirality on Binding Affinity |
| Q56918996 | Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space |
| Q56919019 | Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space |
| Q36153697 | Complex molecules: do they add value? |
| Q56919124 | Complexation of phthalides and substituted 3-benzylidene phthalides with Cr(CO)6 |
| Q33745530 | Compound set enrichment: a novel approach to analysis of primary HTS data |
| Q56919033 | Computational Chemistry at Novartis |
| Q37790487 | Computational analysis of structure-activity relationships |
| Q36858389 | Computational approaches to determine drug solubility |
| Q32019920 | Computational modeling of a binding conformation of the intermediate L-histidinal to histidinol dehydrogenase. |
| Q56919145 | Concepts of sterically hindered resonance and buttressing effect: gas-phase acidities of methyl-substituted benzoic acids and basicities of their methyl esters |
| Q36232531 | Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products |
| Q94333941 | Craig plot 2.0: an interactive navigation in the substituent bioisosteric space |
| Q56918939 | Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping |
| Q36952364 | Designing drugs on the internet? Free web tools and services supporting medicinal chemistry |
| Q40726834 | Diastereomeric ecdysteroids with a cyclic hemiacetal in the side chain produced by cytochrome P450 in hormonally resistant insect cells |
| Q56918933 | Discovery of 1H-pyrrolo[2,3-c]pyridine-7-carboxamides as novel, allosteric mGluR5 antagonists |
| Q56919160 | Electron distribution on an intramolecular hydrogen bond: A semiempirical AM1 study |
| Q56919197 | Energies of excited states calculated with MNDO and AM1 |
| Q56919002 | Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors |
| Q51919224 | Estimation of pKa for druglike compounds using semiempirical and information-based descriptors. |
| Q27702095 | Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions |
| Q54301848 | Evaluation of a semi-automated workflow for fragment growing. |
| Q33969389 | Evolution of the physicochemical properties of marketed drugs: can history foretell the future? |
| Q28842810 | Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties |
| Q34076146 | Gazing into the crystal ball; the future of computer-aided drug design |
| Q56918926 | IADE: a system for intelligent automatic design of bioisosteric analogs |
| Q56919045 | Identification and Classification of GPCR Ligands Using Self-Organizing Neural Networks |
| Q36842555 | In silico identification of bioisosteric functional groups |
| Q56919214 | Influence of solvent polarity on the dual fluorescence of p-N,N-dimethylaminobenzonitrile: An AM1 theoretical study |
| Q51932938 | Introducing the consensus modeling concept in genetic algorithms: application to interpretable discriminant analysis. |
| Q45413167 | Intuitive ordering of scaffolds and scaffold similarity searching using scaffold keys |
| Q27702175 | JSME: a free molecule editor in JavaScript |
| Q56919205 | MNDO CI study of the photoisomerization about polar double bonds |
| Q56919223 | MNDO CI study of the photoisomerization of pentadieniminium |
| Q56919245 | MNDO CI study of vertical excitation energies |
| Q56919230 | MNDO and AM1 study of molecular geometries in excited states |
| Q56919257 | MNDO study of the E-Z isomerization mechanism of H2C=NR molecules (R = H, CH3, NH2, OH, F) |
| Q33912666 | Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening data |
| Q27499199 | Molecular structure input on the web |
| Q51899910 | Natural product-likeness score and its application for prioritization of compound libraries. |
| Q46979340 | Natural product-likeness score and its applications in the drug discovery process |
| Q28727975 | Natural product-likeness score revisited: an open-source, open-data implementation |
| Q28530221 | Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information |
| Q56400334 | Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information |
| Q56918946 | Physicochemical Properties |
| Q56918982 | Polar Surface Area |
| Q56919151 | Preparation and stereoselectivity of 1,3-dipolar cycloaddition of C-glycosyl nitrones to N-arylmaleimides |
| Q56919272 | Quantum-chemical study of photochemical E-Z isomerization of methanimine and its fluoro derivatives |
| Q33251011 | Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds |
| Q56919139 | Regio- and Stereoselective Reduction of 3,5-Disubstituted 3a,6a-Dihydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-diones with Sodium Borohydride |
| Q56919165 | Regio- and stereo-selective synthesis of carbohydrate isoxazolidines by 1,3-dipolar cycloaddition of nitrones to 5,6-di-deoxy-1,2- O -isopropylidene-α- d - xylo -hex-5-enofuranose |
| Q56919183 | Regio- and stereoselectivity in the 1,3-dipolar cycloaddition of C,N-diarylnitrones to 3,3-methylene-5,5-dimethyl-2-pyrrolidinone |
| Q56919190 | Regioselectivity in the 1,3-dipolar cycloaddition of nitrile oxides to 3,3-methylene-5,5-dimethyl-2-pyrrolidinone |
| Q33237552 | Relationships between Molecular Complexity, Biological Activity, and Structural Diversity |
| Q56919111 | Simple Quantum Chemical Parameters as an Alternative to the Hammett Sigma Constants in QSAR Studies |
| Q56919083 | Stereoselectivity of 1,3-Dipolar Cycloadditions of d-Erythrose and d-Threose Derived Nitrones with Methyl Acrylate |
| Q91293645 | Structure-Based and Property-Driven Optimization of N-Aryl Imidazoles toward Potent and Selective Oral RORγt Inhibitors |
| Q56919090 | Synthesis of 8-substituted 5H,9H-6-oxa-7-aza-benzocyclononene-10,11-dione-11-O-methyloximes, a new [1,2]-oxazonine ring system |
| Q56919131 | Synthesis of Ferrocenyl-Substituted Heterocycles: The Beneficial Effect of the Microwave Irradiation |
| Q56919102 | Synthesis of Spiroisoxazolines by 1,3-Dipolar Cycloaddition |
| Q27768978 | The Molecule Cloud - compact visualization of large collections of molecules |
| Q56919012 | The Scaffold Tree — Visualization of the Scaffold Universe by Hierarchical Scaffold Classification |
| Q37809223 | The graphical representation of ADME-related molecule properties for medicinal chemists |
| Q48082132 | The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification |
| Q37788605 | The scaffold tree: an efficient navigation in the scaffold universe |
| Q56919059 | Toxizitätsvorhersage im Intranet |
| Q47423097 | Unique macrocycles in the Taiwan traditional Chinese medicine database |
| Q27136404 | Virtual Computational Chemistry Laboratory – Design and Description |
| Q38666435 | Visualization of chemical space for medicinal chemists |
| Q56919117 | WWW-based chemical information system |
| Q56919069 | Web-Based Calculation of Molecular Properties |
| Q35647271 | Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis |
| Q56919051 | Web-based cheminformatics tools deployed via corporate Intranets |
| Q120664580 | Which boronic acids are used most frequently for synthesis of bioactive molecules? |
| Q21957425 | Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia |
| Q56919095 | World Wide Web-Based Calculation of Substituent Parameters for QSAR Studies |
| Q31995260 | World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches |
| Q47501229 | 11th International Conference on Chemical Structures |
| Q111749081 | 12th International Conference on Chemical Structures |
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