scholarly article | Q13442814 |
P50 | author | Gisbert Schneider | Q51615601 |
Petra Schneider | Q110029671 | ||
P2093 | author name string | Michael Reutlinger | |
Tiago Rodrigues | |||
P2860 | cites work | Imaging of Plasmodium Liver Stages to Drive Next-Generation Antimalarial Drug Discovery | Q27861956 |
ChEMBL: a large-scale bioactivity database for drug discovery | Q28315179 | ||
Best Practices for QSAR Model Development, Validation, and Exploitation | Q28649930 | ||
Extended-connectivity fingerprints | Q29616639 | ||
Advances in Microfluidic Materials, Functions, Integration, and Applications | Q30440267 | ||
What do we know and when do we know it? | Q30481529 | ||
Automated design of ligands to polypharmacological profiles. | Q30539786 | ||
One-pot multicomponent synthesis of two novel thiolactone scaffolds | Q33560831 | ||
On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design. | Q33882205 | ||
What is the likelihood of an active compound to be promiscuous? Systematic assessment of compound promiscuity on the basis of PubChem confirmatory bioassay data | Q34680149 | ||
Disubstituted 1-Aryl-4-Aminopiperidine Library Synthesis Using Computational Drug Design and High-Throughput Batch and Flow Technologies | Q34910444 | ||
Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules | Q37094597 | ||
Integrated extended-nano chemical systems on a chip | Q37697537 | ||
Advances in microfluidics for drug discovery | Q38029121 | ||
Imidazolopiperazines: hit to lead optimization of new antimalarial agents. | Q39530026 | ||
N-Fused Imidazoles As Novel Anticancer Agents That Inhibit Catalytic Activity of Topoisomerase IIα and Induce Apoptosis in G1/S Phase | Q39530047 | ||
Quantifying the chemical beauty of drugs. | Q42414958 | ||
From machine learning to natural product derivatives that selectively activate transcription factor PPARgamma | Q43204326 | ||
Impact of high-throughput screening in biomedical research | Q45352809 | ||
ChemDB update--full-text search and virtual chemical space. | Q46257274 | ||
Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem | Q51922697 | ||
The ?-Addition of Immonium Ions and Anions to Isonitriles Accompanied by Secondary Reactions | Q56430542 | ||
Multicomponent Reactions as a Powerful Tool for Generic Drug Synthesis | Q56815732 | ||
P433 | issue | 2 | |
P407 | language of work or name | English | Q1860 |
P921 | main subject | G protein-coupled receptor | Q38173 |
P304 | page(s) | 582-585 | |
P577 | publication date | 2013-11-26 | |
P1433 | published in | Angewandte Chemie International Edition | Q62023953 |
P1476 | title | Combining on-chip synthesis of a focused combinatorial library with computational target prediction reveals imidazopyridine GPCR ligands | |
P478 | volume | 53 |
Q38209736 | Accessing new chemical entities through microfluidic systems |
Q38750215 | Active learning for computational chemogenomics |
Q47780833 | Automating drug discovery |
Q38843130 | Counting on natural products for drug design |
Q36095417 | Designing Multi-target Compound Libraries with Gaussian Process Models |
Q27300835 | Efficient isocyanide-less isocyanide-based multicomponent reactions |
Q92219664 | Exploiting the Nucleophilicity of the Nitrogen Atom of Imidazoles: One-Pot Three-Component Synthesis of Imidazo-Pyrazines |
Q39184034 | Future De Novo Drug Design |
Q47626065 | Harnessing the potential of natural products in drug discovery from a cheminformatics vantage point |
Q90429639 | Machine Learning Uncovers Food- and Excipient-Drug Interactions |
Q36138895 | Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening |
Q61218037 | Multi-objective active machine learning rapidly improves structure-activity models and reveals new protein-protein interaction inhibitors |
Q45957534 | Multi-objective molecular de novo design by adaptive fragment prioritization. |
Q62496001 | Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery |
Q37140411 | New paradigms in GPCR drug discovery. |
Q38828670 | Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method |
Q54152494 | Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects |
Q30086274 | Proteochemometric modeling in a Bayesian framework |
Q34674736 | Rhodium-catalyzed NH insertion of pyridyl carbenes derived from pyridotriazoles: a general and efficient approach to 2-picolylamines and imidazo[1,5-a]pyridines |
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