| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcc/ToropovaTLRBG12 |
| P356 | DOI | 10.1002/JCC.22953 |
| P8608 | Fatcat ID | release_avdt7lpfhffr3ljiqe7u6qwhli |
| P698 | PubMed publication ID | 22371019 |
| P5875 | ResearchGate publication ID | 221867195 |
| P50 | author | Emilio Benfenati | Q64167646 |
| Andrey Toropov | Q42866647 | ||
| Anna Lombardo | Q45918980 | ||
| Alla P. Toropova | Q51089771 | ||
| P2093 | author name string | G Gini | |
| A Roncaglioni | |||
| P2860 | cites work | SMILES. 3. DEPICT. Graphical depiction of chemical structures | Q56066313 |
| QSAR and Chemometric Approaches for Setting Water Quality Objectives for Dangerous Chemicals | Q56978955 | ||
| SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules | Q28090714 | ||
| SMILES. 2. Algorithm for generation of unique SMILES notation | Q28090803 | ||
| Development of an ecotoxicity QSAR model for the KAshinhou Tool for Ecotoxicity (KATE) system, March 2009 version. | Q34157909 | ||
| QSTR with extended topochemical atom indices. 2. Fish toxicity of substituted benzenes | Q34307151 | ||
| Electrophiles and acute toxicity to fish | Q38018241 | ||
| A QSAR model for predicting toxicity (LC50) to rainbow trout | Q39609862 | ||
| Comparison of in vitro and in vivo acute fish toxicity in relation to toxicant mode of action | Q40130648 | ||
| QSAR modeling with the electrotopological state indices: predicting the toxicity of organic chemicals | Q40613362 | ||
| Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method | Q40681783 | ||
| Correlation weighting of valence shells in QSAR analysis of toxicity | Q46196724 | ||
| A novel approach to predict aquatic toxicity from molecular structure | Q46504709 | ||
| QSAR modeling of acute toxicity by balance of correlations | Q46593669 | ||
| The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity | Q46601552 | ||
| Posetic quantitative superstructure/activity relationships (QSSARs) for chlorobenzenes | Q46619714 | ||
| SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes | Q47859579 | ||
| Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain | Q47868401 | ||
| QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES. | Q47871025 | ||
| CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives. | Q48851825 | ||
| A comparison of DEMETRA individual QSARs with an index for evaluation of uncertainty. | Q52690049 | ||
| P433 | issue | 12 | |
| P921 | main subject | Fathead minnow | Q2700010 |
| ichthyotoxicity | Q113562277 | ||
| P304 | page(s) | 1218-1223 | |
| P577 | publication date | 2012-02-27 | |
| P1433 | published in | Journal of Computational Chemistry | Q3186908 |
| P1476 | title | CORAL: QSAR models for acute toxicity in fathead minnow (Pimephales promelas). | |
| P478 | volume | 33 |
| Q40747990 | Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase inhibition using SMILES-based descriptors. | cites work | P2860 |
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