| scholarly article | Q13442814 |
| P356 | DOI | 10.1016/S0223-5234(00)00141-0 |
| P698 | PubMed publication ID | 10858598 |
| P2093 | author name string | Willett P | |
| Turner DB | |||
| P2860 | cites work | Comparative spectra analysis (CoSA): spectra as three-dimensional molecular descriptors for the prediction of biological activities | Q73103008 |
| P433 | issue | 4 | |
| P304 | page(s) | 367-375 | |
| P577 | publication date | 2000-04-01 | |
| P13046 | publication type of scholarly work | review article | Q7318358 |
| P1433 | published in | European Journal of Medicinal Chemistry | Q3008624 |
| P1476 | title | The EVA spectral descriptor | |
| P478 | volume | 35 |
| Q28292397 | A structure-odour relationship study using EVA descriptors and hierarchical clustering |
| Q51886332 | Characterisation of the chemical and biological properties of molecules with QSAR/QSPR and chemical grouping, and its application to a group of alkyl ethers |
| Q33373829 | Classification of drug molecules considering their IC50 values using mixed-integer linear programming based hyper-boxes method. |
| Q52942534 | Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database |
| Q92527578 | Computational exploration of molecular receptive fields in the olfactory bulb reveals a glomerulus-centric chemical map |
| Q58627585 | Descriptors from Molecular Geometry |
| Q77367409 | Eigen Value Analysis of HIV-1 Integrase Inhibitors |
| Q75325049 | Eigenvalue analysis of peroxisome proliferator-activated receptor gamma agonists |
| Q30700410 | Evaluation of a novel electronic eigenvalue (EEVA) molecular descriptor for QSAR/QSPR studies: validation using a benchmark steroid data set. |
| Q30884602 | FLUFF-BALL, a template-based grid-independent superposition and QSAR technique: validation using a benchmark steroid data set. |
| Q42105513 | Investigation of a novel molecular descriptor for the lead optimization of 4-aminoquinazolines as vascular endothelial growth factor receptor-2 inhibitors: Application for quantitative structure–activity relationship analysis in lead optimization |
| Q89080216 | KRAKENX: software for the generation of alignment-independent 3D descriptors |
| Q80566722 | Ligand intramolecular motions in ligand-protein interaction: ALPHA, a novel dynamic descriptor and a QSAR study with extended steroid benchmark dataset |
| Q43438203 | Methods for Building QSARs |
| Q44312646 | Modeling the chromatographic enantioseparation of aryl- and hetarylcarbinols on ULMO, a brush-type chiral stationary phase, by 3D-QSAR techniques |
| Q56985005 | Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications |
| Q31084841 | Performance of multicomponent self-organizing regression (MCSOR) in QSAR, QSPR, and multivariate calibration: comparison with partial least-squares (PLS) and validation with large external data sets |
| Q46972435 | Quantitative structure-property relationship modeling of Grätzel solar cell dyes. |
| Q35229529 | Reviewing ligand-based rational drug design: the search for an ATP synthase inhibitor |
| Q47370674 | Spectroscopic QSAR methods and self-organizing molecular field analysis for relating molecular structure and estrogenic activity |
| Q30755436 | The impact of informatics and computational chemistry on synthesis and screening |
Search more.