| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcamd/ErtlL12 |
| P356 | DOI | 10.1007/S10822-012-9609-3 |
| P2888 | exact match | https://scigraph.springernature.com/pub.10.1007/s10822-012-9609-3 |
| P698 | PubMed publication ID | 23053736 |
| P50 | author | Peter Ertl | Q27768873 |
| Richard A Lewis | Q52109902 | ||
| P2860 | cites work | Structural Basis for Binding and Selectivity of Antimalarial and Anticancer Ethylenediamine Inhibitors to Protein Farnesyltransferase | Q27653956 |
| Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions | Q27702095 | ||
| ChEMBL: a large-scale bioactivity database for drug discovery | Q28315179 | ||
| DOGS: reaction-driven de novo design of bioactive compounds | Q28480868 | ||
| Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties | Q28842810 | ||
| Prediction of 'drug-likeness'. | Q30829130 | ||
| World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches | Q31995260 | ||
| Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces | Q33326449 | ||
| Searching Fragment Spaces with feature trees | Q33444088 | ||
| Why do we need so many chemical similarity search methods? | Q35053182 | ||
| Efficient drug lead discovery and optimization | Q37307959 | ||
| Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization | Q38910044 | ||
| MORPH: a new tool for ligand design | Q43060401 | ||
| The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies | Q46633192 | ||
| The quest for novel chemical matter and the contribution of computer-aided de novo design. | Q51599141 | ||
| Rationalizing lead optimization by associating quantitative relevance with molecular structure modification. | Q51811939 | ||
| Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups | Q56032354 | ||
| Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping | Q56918939 | ||
| Polar Surface Area | Q56918982 | ||
| Simple Quantum Chemical Parameters as an Alternative to the Hammett Sigma Constants in QSAR Studies | Q56919111 | ||
| Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices) | Q56983300 | ||
| Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programs | Q73642132 | ||
| Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase | Q81428499 | ||
| A general method for exploiting QSAR models in lead optimization | Q81468539 | ||
| P433 | issue | 11 | |
| P921 | main subject | automation | Q184199 |
| P304 | page(s) | 1207-1215 | |
| P577 | publication date | 2012-09-28 | |
| P1433 | published in | Journal of Computer - Aided Molecular Design | Q15766522 |
| P1476 | title | IADE: a system for intelligent automatic design of bioisosteric analogs | |
| P478 | volume | 26 |
| Q34869890 | In silico design of anti-atherogenic biomaterials | cites work | P2860 |
Search more.