Paola Gramatica

Q: What Schools Are Affiliated With Paola Gramatica

Paola Gramatica is affiliated with the following schools: University of Insubria, University of Milan, Stanford University, Umeå University, Lanzhou University

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Paola Gramatica

Computer Science

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#8150

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Artificial Intelligence

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#3312

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#4985

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Computer Science

Paola Gramatica's Degrees

PhD Computer Science University of Milan
Bachelors Computer Science University of Milan

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Paola Gramatica's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models (2003) (1827)
Principles of QSAR models validation: internal and external (2007) (1653)
QSAR modeling: where have you been? Where are you going to? (2014) (1232)
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. (2003) (1105)
Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships (2005) (670)
Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient (2011) (540)
QSARINS: A new software for the development, analysis, and validation of QSAR MLR models (2013) (456)
Joint algal toxicity of 16 dissimilarly acting chemicals is predictable by the concept of independent action. (2003) (411)
Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection (2012) (393)
Predicting the joint algal toxicity of multi-component s-triazine mixtures at low-effect concentrations of individual toxicants. (2001) (388)
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors, 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies (2002) (267)
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis (2008) (264)
QSARINS‐chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS (2014) (244)
A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology (2016) (239)
Statistical external validation and consensus modeling: a QSPR case study for Koc prediction. (2007) (220)
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set (2010) (195)
Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training-Test Sets and Consensus Modeling (2004) (193)
QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae (2012) (175)
Joint algal toxicity of phenylurea herbicides is equally predictable by concentration addition and independent action (2004) (161)
SD-modelling and Prediction by WHIM Descriptors. Part 5. Theory Development and Chemical Meaning of WHIM Descriptors (1997) (158)
Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow) (2005) (155)
On the development and validation of QSAR models. (2013) (152)
Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. (2000) (149)
Mixture Toxicity of Priority Pollutants at No Observed Effect Concentrations (NOECs) (2002) (143)
The BEAM-project: prediction and assessment of mixture toxicities in the aquatic environment (2003) (121)
Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure–activity relationship modeling (2010) (116)
Prediction of aqueous solubility, vapor pressure and critical micelle concentration for aquatic partitioning of perfluorinated chemicals. (2011) (113)
Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons (1995) (108)
QSAR prediction of estrogen activity for a large set of diverse chemicals under the guidance of OECD principles. (2006) (105)
Water quality objectives for mixtures of toxic chemicals: problems and perspectives. (2003) (100)
Daphnia and fish toxicity of (benzo)triazoles: validated QSAR models, and interspecies quantitative activity-activity modelling. (2013) (98)
QSAR Modeling of Bioconcentration Factor by theoretical molecular descriptors (2003) (96)
Hazard of pharmaceuticals for aquatic environment: Prioritization by structural approaches and prediction of ecotoxicity. (2016) (84)
New 3D Molecular Descriptors: The WHIM theory and QSAR Applications (2002) (83)
Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers (2009) (81)
3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs) (1998) (81)
The WHIM Theory: New 3D-molecular descriptors for QSAR in environmental modelling (1997) (79)
Principles of QSAR Modeling (2020) (77)
Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors. (2007) (77)
3D‐modelling and Prediction by WHIM Descriptors. Part 6. Application of WHIM Descriptors in QSAR Studies (1997) (75)
External Evaluation of QSAR Models, in Addition to Cross‐Validation: Verification of Predictive Capability on Totally New Chemicals (2014) (74)
QSAR study of selective ligands for the thyroid hormone receptor beta. (2007) (71)
QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo‐)triazoles (2011) (69)
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity (2020) (69)
Modeling and prediction by using WHIM descriptors in QSAR studies: Toxicity of heterogeneous chemicals on Daphnia magna (1996) (68)
Metabolic biotransformation half-lives in fish: QSAR modeling and consensus analysis. (2014) (67)
QSAR study on the tropospheric degradation of organic compounds (1999) (64)
QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure (2010) (64)
PBT assessment and prioritization of contaminants of emerging concern: Pharmaceuticals. (2016) (62)
Screening and ranking of POPs for global half-life: QSAR approaches for prioritization based on molecular structure. (2007) (60)
Aquatic ecotoxicity of personal care products: QSAR models and ranking for prioritization and safer alternatives’ design (2016) (57)
Screening of pesticides for environmental partitioning tendency. (2002) (57)
An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors (2005) (56)
Comparison between 5,10,15,20-tetraaryl- and 5,15-diarylporphyrins as photosensitizers: synthesis, photodynamic activity, and quantitative structure-activity relationship modeling. (2006) (55)
Chemometrics in QSAR (2009) (52)
QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants. (2011) (51)
13-cis-Crocin: A new crocinoid of saffron. (1984) (50)
Are some "safer alternatives" hazardous as PBTs? The case study of new flame retardants. (2016) (49)
Ranking of aquatic toxicity of esters modelled by QSAR. (2005) (48)
QSAR study of malonyl‐CoA decarboxylase inhibitors using GA‐MLR and a new strategy of consensus modeling (2008) (48)
A tool for the assessment of VOC degradability by tropospheric oxidants starting from chemical structure (2004) (48)
Screening the leaching tendency of pesticides applied in the Amu Darya Basin (Uzbekistan). (2004) (47)
Principles of QSAR Modeling: Comments and Suggestions From Personal Experience (2020) (46)
Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity (2007) (46)
Classification of organic solvents and modelling of their physico-chemical properties by chemometric methods using different sets of molecular descriptors (1999) (46)
QSAR modeling and prediction of the endocrine-disrupting potencies of brominated flame retardants. (2010) (45)
Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study (2006) (45)
QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action. (2001) (44)
QSAR and chemometric approaches for setting water quality objectives for dangerous chemicals. (2001) (43)
Stereospecific reduction of geraniol to (R)-(+)-citronellol bySaccharomyces cerevisiae (1982) (42)
Classification and Virtual Screening of Androgen Receptor Antagonists (2010) (41)
Identification of potential PBT behavior of personal care products by structural approaches (2015) (40)
The importance of molecular structures, endpoints’ values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders (2010) (39)
PBT assessment and prioritization by PBT Index and consensus modeling: comparison of screening results from structural models. (2015) (39)
3D-modelling and prediction by WHIM descriptors. Part 8. Toxicity and physico-chemical properties of environmental priority chemicals by 2D-TI and 3D-WHIM descriptors. (1997) (39)
Chiral synthetic intermediates via asymmetric hydrogenation of .alpha.-methyl-.alpha.,.beta.-unsaturated aldehydes by bakers' yeast (1985) (38)
Modeling and prediction by using WHIM descriptors in QSAR studies: submitochondrial particles (SMP) as toxicity blosensors of chlorophenols (1996) (37)
Correlations and complementarities in data and methods through Principal Components Analysis (PCA) applied to the results of the SPIn-Eco Project. (2008) (37)
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals (2011) (37)
Analysis of Mosses and Soils for Quantifying Heavy Metal Concentrations in Sicily: A Multivariate and Spatial Analytical Approach (2006) (37)
QSAR Prediction of Ozone Tropospheric Degradation (2003) (37)
QSAR approach to POPs screening for atmospheric persistence. (2001) (36)
In silico screening of estrogen-like chemicals based on different nonlinear classification models. (2007) (35)
Prediction of PAH mutagenicity in human cells by QSAR classification (2008) (35)
Evaluation and QSAR modeling on multiple endpoints of estrogen activity based on different bioassays. (2008) (34)
Predicting the NO3 radical tropospheric degradability of organic pollutants by theoretical molecular descriptors (2003) (34)
Per- and polyfluoro toxicity (LC(50) inhalation) study in rat and mouse using QSAR modeling. (2010) (34)
Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. (2011) (34)
Aloeresin c, a bitter c,o-diglucoside from cape aloe☆ (1985) (33)
Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse (2011) (32)
CHEMOMETRIC METHODS AND THEORETICAL MOLECULAR DESCRIPTORS IN PREDICTIVE QSAR MODELING OF THE ENVIRONMENTAL BEHAVIOR OF ORGANIC POLLUTANTS (2010) (32)
Aloenin B, a new diglucosylated 6-phenyl-2-pyrone from Kenya aloe (1986) (31)
A C-glucosylated 5-methylchromone from Kenya aloe (1986) (31)
Aloe revisited the structure of aloeresin A (1982) (31)
Integrated QSPR models to predict the soil sorption coefficient for a large diverse set of compounds by using different modeling methods (2014) (31)
Reaction of nitroolefins with raney nickel and sodium hypophosphite. A mild method for converting nitroolefins into ketones (or aldehydes). (1983) (30)
Regio- and stereoselective hydrogenation of methyl substituted pentadien-1-ols by baker's yeast (1988) (30)
QSARINS-Software for QSAR MLR model development and validation (2012) (29)
Accumulation of persistent organic pollutants in canopies of different forest types: role of species composition and altitudinal-temperature gradient. (2006) (29)
Decarboxylation of cinnamic acids by Saccharomyces cerevisiae (1981) (28)
QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals. (2018) (28)
Structural requirements of 3-carboxyl-4(1H)-quinolones as potential antimalarials from 2D and 3D QSAR analysis. (2013) (28)
Stereoselective total synthesis of natural phytol via double bond reductions by baker's yeast (1987) (27)
Combinatorial QSAR Modeling of Chemical Toxicants Tested Against Tetrahymena pyriformis. (2008) (27)
Prediction of aromatic amines mutagenicity from theoretical molecular descriptors (2003) (26)
Prediction of the adsorption capability onto activated carbon of a large data set of chemicals by local lazy regression method (2010) (25)
Steric Control of Conductivity in Highly Conjugated Polythiophenes (2001) (25)
Biosynthesis of phenylpropanoid compounds. Part I. Biosynthesis of eugenol in Ocimum basilicum L (1974) (24)
QSAR classification of estrogen receptor binders and pre-screening of potential pleiotropic EDCs (2010) (24)
QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds (2012) (24)
Development of human biotransformation QSARs and application for PBT assessment refinement. (2017) (24)
Screening of persistent organic pollutants by QSPR classification models: a comparative study. (2008) (24)
QSAR prediction of the competitive interaction of emerging halogenated pollutants with human transthyretin£ (2013) (23)
In Memory of Professor Davide Calamari (2006) (21)
Singlet oxygen reactions in aqueous solution. Physical and chemical quenching rate constants of crocin and related carotenoids (1987) (21)
BAKER’S YEAST HYDROGENATION OF CARBONYL ACTIVATED DOUBLE BONDS. ENANTIOSELECTIVE SYNTHESIS OF THE (S)-FORM OF THE DIHYDROTERPENEDIOL SECRETED BY DANAUS CHRYSIPPUS AND OF A PHEROMONE OF CALLOSOBRUCHUS CHINENSIS L. (1985) (21)
Prediction of infinite-dilution activity coefficients of organic solutes in ionic liquids using temperature-dependent quantitative structure–property relationship method (2010) (20)
Ecotoxicity interspecies QAAR models from Daphnia toxicity of pharmaceuticals and personal care products$ (2016) (20)
Evaluation of CADASTER QSAR Models for the Aquatic Toxicity of (Benzo)triazoles and Prioritisation by Consensus Prediction (2013) (19)
Ranking of volatile organic compounds for tropospheric degradability by oxidants: A QSPR approach (2002) (19)
Synthesis, photodynamic activity, and quantitative structure-activity relationship modelling of a series of BODIPYs. (2017) (19)
Tautomerism and multiple modelling enhance the efficacy of QSAR: antimalarial activity of phosphoramidate and phosphorothioamidate analogues of amiprophos methyl (2014) (19)
Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals (2008) (19)
Modeling ready biodegradability of fragrance materials (2015) (18)
WHIM Descriptors of Shape (2006) (17)
On the Use of Local and Global QSPRs for the Prediction of Physico‐chemical Properties of Polybrominated Diphenyl Ethers (2011) (17)
Quantitative structure–activity relationship modelling of oral acute toxicity and cytotoxic activity of fragrance materials in rodents (2009) (16)
Synthesis of naturally occurring 2,5-dialkylchromones. I: Synthesis of aloesone and aloesol (1986) (15)
Quantitative structure-activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors. (2007) (15)
3D-Modelling and Prediction by Whim Descriptors. Part 7. Physico-Chemical Properties of Haloaromatics: Comparison Between Whim and Topological Descriptors (1997) (14)
The applications of machine learning algorithms in the modeling of estrogen-like chemicals. (2009) (14)
Stereochemistry of the decarboxylation of phenolic cinnamic acids by Saccharomyces cerevisiae (1975) (14)
Ranking and classification of non-ionic organic pesticides for environmental distribution: a qsar approach (2004) (13)
The QSPR-THESAURUS: The Online Platform of the CADASTER Project (2014) (13)
A convenient synthesis of both the anomers of ethyl (2,3,4,6-tetra-O-benzyl-D-glucopyranosyl)acetate (1987) (13)
Reduction of cinnamyl alcohols and cinnamaldehydes by Saccharomyces cerevisiae (1981) (12)
Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists (2017) (11)
Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl‐Pyranones (2010) (11)
A Mild Hydrogenolytic-Hydrolytic Conversion of Oximes to Carbonyl Compounds. (1986) (11)
Classification of environmental pollutants for global mobility potential (2002) (10)
Toward an in vitro test for the diagnosis of allergy to penicillins. Synthesis, characterization, and use of beta-lactam and beta-lactam metabolite poly-L-lysines which recognize human IgE antibodies. (1999) (10)
Biosynthesis of anethole in L. (1974) (10)
QSAR modelling of water quality indices of alkylphenol pollutants (2007) (9)
New syntheses of optically active vitamin E side chain by chemicoenzymatic approach (1986) (9)
Multivariate chemical mapping of antibiotics and identification of structurally representative substances. (2007) (9)
QSARINS‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity (2021) (8)
New QSAR Modelling Approach Based on Ranking Models by Genetic Algorithms - Variable Subset Selection (GA-VSS) (2006) (8)
Synthesis of (2S, 5R) ‐ [5‐2H] Proline (1981) (6)
Preparation of cinnamic acids labelled with deuterium or tritium at the α-position (1973) (6)
A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin‐concentrating hormone receptor 1 antagonists (2009) (6)
Chiral synthetic intermediates via asymmetric hydrogenation of α-methyl-α,β-unsaturated aldehydes by bakers's yeast (1986) (6)
Biotransformations in organic synthesis. Baker's yeast-catalysed reductions (1988) (5)
Biosynthesis of phenylpropanoid compounds. Part II. Incorporation of specifically labelled cinnamic acids into eugenol (1975) (5)
A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists. (2015) (5)
Ligand Efficiency Outperforms pIC50 on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists (2015) (4)
Ranking of phenols for abiotic oxidation in aqueous environment: a QSPR approach. (2005) (4)
Structure‐Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms (2013) (4)
Baker′s Yeast Hydrogenation of Carbonyl, Activated Double Bonds. (1986) (4)
Abstracts of the 6th FECS Conference 1998 Lectures (1998) (3)
Abstracts of the 6th FECS Conference 1998 Lectures (1998) (3)
Prioritization of chemicals based on chemoinformatic analysis (2016) (3)
In Silico Approaches for the Prediction of In Vivo Biotransformation Rates (2017) (3)
Atmospheric monitoring, toxicology and QSAR modelling of nitrophenols (2002) (3)
Quantitative Prediction of Rat Hepatotoxicity by Molecular Structure (2018) (3)
Reply to the comment of S. Rayne on “QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo‐)triazoles” (2013) (2)
Case studies on the Development and Application of in silico Techniques for Environmental hazard and Risk assessment (CADASTER) (2008) (2)
STUDY OF THE POP ATMOSPHERIC MOBILITY BY QSAR APPROACH (1999) (2)
Screening and prioritization of chemicals for REACH: the cumulative PBT Index in QSARINS (2014) (2)
Modelling Of POP Environmental Persistence And Long Range Transport By QSAR And Chemometric Approaches (2002) (2)
Structurally-Based PBT Profiler: the PBT index from molecular structure (2006) (2)
Tautomerism and multiple modelling enhance the efficacy of QSAR: antimalarial activity of phosphoramidate and phosphorothioamidate analogues of amiprophos methyl (2014) (2)
Chapter 17:Modelling Chemicals in the Environment (2011) (2)
Comparison of applicability domains of QSAR models: application to the modelling of the environmental toxicity against Tetrahymena pyriformis (2008) (1)
QSARINS model 2 for log Koc (2019) (1)
REACTION OF NITROOLEFINS WITH RANEY NICKEL AND SODIUM HYPOPHOSPHITE. A MILD METHOD FOR CONVERTING NITROOLEFINS INTO KETONES (OR ALDEHYDES) (1983) (1)
QSARINS model 1 for log Koc (2015) (1)
Toxic Nitrophenols From The Liquid Phase Nitration Of Phenols (1999) (1)
QSAR Models for Aquatic Toxicity of Triazoles and Benzotriazoles: WP3 Results Within the FP7 European Project CADASTER (2013) (1)
Microbial-Mediated Syntheses of EPC. Part 5. Regio- and Stereoselective Hydrogenation of Methyl Substituted Pentadien-1-ols by Baker′s Yeast. (1988) (1)
Analysis In Air, Toxicology And QSAR Modelling With Nitrophenols (2002) (1)
Prediction of PAH and Nitro-PAH mutagenicity and PAC genotoxicity by QSAR modeling (2009) (1)
The synthesis of estragole labelled with deuterium ln single positions of the allylic side chain. In single positions of the allylic side chain (1979) (1)
Synthesis of Naturally Occurring 2,5-Dialkylchromones. Part 1. Synthesis of Aloesone (Ia) and Aloesol (Ib). (1986) (1)
Biotransformations in organic synthesis. III (1989) (0)
SYNTHESIS OF ESTRAGOLE, A GENERAL ROUTE TO ALLYLPHENOLS FROM PROPENYLPHENOLS (1974) (0)
QSARINS model for hydroxyl-mediated tropospheric degradation using online descriptors (2019) (0)
Studies on Atmospheric Pollutants: Effect on Soy Seeds Germination of Nitro-Phenols and Nitro-Cresols and its Modeling by Molecular Descriptors (1998) (0)
CAse studies on the Development and Application of in-Silico Techniques for Environmental hazard (CADASTER) (2008) (0)
Deposition of POPs along an Alpine altitudinal gradient (2004) (0)
QSARINS: new software for development and validation of MLR models; QSARINS-Chem: datasets and QSAR models for environmental pollutants (2014) (0)
ORGANIC POLLUTANT UPTAKE BY VEGETABLE PROBES (2005) (0)
Statistical validation of QSAR models (2005) (0)
Collaborative QSAR analysis of Ames mutagenicity (2011) (0)
QSAR Prediction of the Endocrine Activity of Perfluorinated Compounds (2011) (0)
Obituary for Davide Calamari (2005) (0)
QSAR and QSPR models for emerging pollutants: WP3 activities within the FP7 European Project CADASTER (2011) (0)
Pharmaceutical ecotoxicity: Data curation and QSAR modeling (2015) (0)
Toxicity modelling of "EEC Priority List 1" compounds (1999) (0)
QSAR-based compound prioritization for lab-testing for chemical safety assessment (2011) (0)
Quantifying model errors using similarity to training data (2010) (0)
Quantitative structure–activity relationship analysis of a novel series of chemicals antagonizing WT and MT AR (2011) (0)
Statistically validated QSAR modelling of nitro-PAH mutagenicity (2006) (0)
Polychlorinated biphenyls (PCBs) and DDTs in forests along an altitudinal gradient (2003) (0)
QSAR prediction of aquatic and mammalian toxicity of triazoles and benzo-triazoles (2011) (0)
Predictive QSAR modelling for Screening and Prioritization of Environmental Organic Pollutants (2011) (0)
QSARINS model for hydroxyl–mediated tropospheric degradation using DRAGON descriptors (2019) (0)
Screening and prioritization of Perfluorinated Chemicals and Personal Care Products in QSARINS-Chem (2014) (0)
Multimedia Modelling of air-sea exchange (1997) (0)
On the agreement of external validation parameters for linear regression QSAR models (2011) (0)
CADASTER Models for Brominated Flame Retardants. (2010) (0)
A NEW MOLECULAR STRUCTURE REPRESENTATION: SPECTRAL WEIGHTED MOLECULAR (SWM) SIGNALS AND SPECTRAL WEIGHTED INVARIANT MOLECULAR (SWIM) DESCRIPTORS (2000) (0)
Microbial-Mediated Syntheses of EPC. Part 4. Stereoselective Total Synthesis of Natural Phytol via Double Bond Reductions by Baker′s Yeast. (1988) (0)
Microbial-Mediated Syntheses of EPC. Part 2. New Syntheses of Optically Active Vitamin E Side Chain by Chemicoenzymatic Approach. (1987) (0)
A New Molecular Structure Representation: Spectral Weighted Molecular (SWM) Signals for Studies of Molecular Similarity (1999) (0)
A Framework to Improve In Vivo Biotransformation Rate Constant Estimation (2011) (0)
Screening and prioritization of chemicals for REACH: The cumulative PBT Index model in QSARINS (2015) (0)
How to avoid dangerous alternative to banned chemicals in a safer approach: screening of Flame Retardants by the PBT Index (2014) (0)
A Convenient Synthesis of Both the Anomers of Ethyl-(2,3,4,6-tetra-Obenzyl-D-glucopyranosyl)acetate (I). (1988) (0)
QSAR prediction of endocrine disruption potencies of brominated flame retardants (2008) (0)
Pesticides and Narcotics toxicity to Vibrio fischery studied by QSAR (2009) (0)
QSARINS and QSARINS-Chem standalone version: Tools for QSAR models development, validation and application (2020) (0)
Terrestrial Toxicity of (Benzo) Triazoles Modeled by QSAR (2012) (0)
SYNTHESIS OF 2-TRIFLUOROMETHYLQUINOLINES (1981) (0)
Prediction and screening of fish biotransformation half-lives (2015) (0)
Hydroxyl radical reaction rate constant model (2011) (0)
Corrigendum: Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl‐Pyranones (2013) (0)
The use of QSAR in the definition of water quality objectives for mixtures of chemicals (1997) (0)
Physico-Chemical Property prediction of emerging pollutants:PFCs and (B)TAZs for environmental distribution (2011) (0)
3D-molecular descriptors: the WHIM approach to the similarity analysis. (1996) (0)
Biosynthesis of caffeic acid in Ocimum basilicum L. (1979) (0)
QSAR Prediction of Aquatic Toxicity of Triazoles and Benzo-Triazoles (2011) (0)
Exploring the QSARs for OH Tropospheric Degradation of VOCs using freely available online descriptors (2011) (0)

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