Roy, Kunal B.: search on Z-Library

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1

Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment || Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors

Year:

2015

Language:

english

File:

PDF, 3.00 MB

english, 2015

2

On a simple approach for determining applicability domain of QSAR models

Roy, Kunal, Kar, Supratik, Ambure, Pravin

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2015

Language:

english

File:

PDF, 851 KB

english, 2015

3

[Methods in Pharmacology and Toxicology] Multi-Target Drug Design Using Chem-Bioinformatic Approaches ||

Year:

2019

Language:

english

File:

PDF, 19.99 MB

english, 2019

4

[Challenges and Advances in Computational Chemistry and Physics] Advances in QSAR Modeling Volume 24 || On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments

Year:

2017

Language:

english

File:

PDF, 1.78 MB

english, 2017

5

[Neuromethods] Computational Modeling of Drugs Against Alzheimer’s Disease Volume 132 || Computational Modeling of Gamma-Secretase Inhibitors as Anti-Alzheimer Agents

Year:

2018

Language:

english

File:

PDF, 648 KB

english, 2018

6

[Methods in Pharmacology and Toxicology] Multi-Target Drug Design Using Chem-Bioinformatic Approaches || Numerical Modelling of Bed Shear Stress in OpenFOAM

Year:

2019

Language:

english

File:

PDF, 536 KB

english, 2019

7

An In Vivo Study for Targeted Delivery of Curcumin in Human Triple Negative Breast Carcinoma Cells Using Biocompatible PLGA Microspheres Conjugated with Folic Acid

Pal, Kunal, Laha, Dipranjan, Parida, Pravat Kumar, Roy, Shubham, Bardhan, Souravi, Dutta, Ananya, Jana, Kuladip, Karmakar, Parimal

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2019

Language:

english

File:

PDF, 46.05 MB

english, 2019

8

Predictive Chemometric Modeling and Three-Dimensional Toxicophore Mapping of Diverse Organic Chemicals Causing Bioluminescent Repression of the Bacterium Genus Pseudomonas

Kar, Supratik, Roy, Kunal

Journal:

Industrial & Engineering Chemistry Research

Year:

2013

Language:

english

File:

PDF, 2.89 MB

english, 2013

9

A flow of funds model for India and its implications

Kunal Sen, Tirthankar Roy, R. Krishnan, Arundhati Mundlay

Journal:

Journal of Policy Modeling

Year:

1996

Language:

english

File:

PDF, 1.24 MB

english, 1996

10

Be aware of error measures. Further studies on validation of predictive QSAR models

Roy, Kunal, Das, Rudra Narayan, Ambure, Pravin, Aher, Rahul B.

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2016

Language:

english

File:

PDF, 1.43 MB

english, 2016

11

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment || Background of QSAR and Historical Developments

Year:

2015

Language:

english

File:

PDF, 4.15 MB

english, 2015

12

[Challenges and Advances in Computational Chemistry and Physics] Advances in QSAR Modeling Volume 24 || Towards the Revival of Interpretable QSAR Models

Year:

2017

Language:

english

File:

PDF, 1.54 MB

english, 2017

13

Molecular Shape Analysis of Antioxidant and Squalene Synthase Inhibitory Activities of Aromatic Tetrahydro-1,4-oxazine Derivatives

Kunal Roy, Indrani Mitra, Achintya Saha

Journal:

Chemical Biology & Drug Design

Year:

2009

Language:

english

File:

PDF, 145 KB

english, 2009

14

Predictive QSPR modeling of the acidic dissociation constant (pKa) of phenols in different solvents

Kunal Roy, Paul L. A. Popelier

Journal:

Journal of Physical Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 325 KB

english, 2009

15

[Methods in Pharmacology and Toxicology] Ecotoxicological QSARs ||

Year:

2020

Language:

english

File:

PDF, 22.97 MB

english, 2020

16

Facile synthesis of antibiotic encapsulated biopolymeric okra mucilage nanoparticles: molecular docking, in vitro stability and functional evaluation

Masum, Abdulla Al, Pal, Kunal, Saha, Ishita, Ghosh, Deblina, Roy, Shubham, Ghosh Chowdhury, Sougata, Islam, Md Maidul, Karmakar, Parimal

Journal:

Advances in Natural Sciences: Nanoscience and Nanotechnology

Year:

2020

File:

PDF, 1.60 MB

2020

17

[Methods in Pharmacology and Toxicology] Multi-Target Drug Design Using Chem-Bioinformatic Approaches || Hydroelasticity Analysis of a Container Ship Using a Semi-analytic Approach and Direct Coupling Method in Time Domain

Year:

2019

Language:

english

File:

PDF, 632 KB

english, 2019

18

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment || Newer QSAR Techniques

Year:

2015

Language:

english

File:

PDF, 2.91 MB

english, 2015

19

Exploring QSTR modeling and toxicophore mapping for identification of important molecular features contributing to the chemical toxicity in Escherichia coli

Pramanik, Subrata, Roy, Kunal

Journal:

Toxicology in Vitro

Year:

2014

Language:

english

File:

PDF, 1.37 MB

english, 2014

20

Endocrine-disrupting activity of per- and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling

Kar, Supratik, Sepúlveda, Maria S., Roy, Kunal, Leszczynski, Jerzy

Journal:

Year:

2017

Language:

english

File:

PDF, 1.14 MB

english, 2017

21

Current Approaches for Choosing Feature Selection and Learning Algorithms in Quantitative Structure–Activity Relationships (QSAR)

Khan, Pathan Mohsin, Roy, Kunal

Journal:

Expert Opinion on Drug Discovery

Year:

2018

Language:

english

File:

PDF, 1.82 MB

english, 2018

22

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment || Preface

Year:

2015

Language:

english

File:

PDF, 24 KB

english, 2015

23

Quantitative Structure–Activity Relationship Modeling of Antioxidant Activities of Hydroxybenzalacetones Using Quantum Chemical, Physicochemical and Spatial Descriptors

Indrani Mitra, Achintya Saha, Kunal Roy

Journal:

Chemical Biology & Drug Design

Year:

2009

Language:

english

File:

PDF, 177 KB

english, 2009

24

Advances in QSPR/QSTR models of ionic liquids for the design of greener solvents of the future

Das, Rudra Narayan, Roy, Kunal

Journal:

Molecular Diversity

Year:

2013

Language:

english

File:

PDF, 2.14 MB

english, 2013

25

Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

Roy, Kunal, Ambure, Pravin, Kar, Supratik, Ojha, Probir Kumar

Journal:

Journal of Chemometrics

Year:

2018

Language:

english

File:

PDF, 1.01 MB

english, 2018

26

How Precise Are Our Quantitative Structure–Activity Relationship Derived Predictions for New Query Chemicals?

Roy, Kunal, Ambure, Pravin, Kar, Supratik

Journal:

Year:

2018

Language:

english

File:

PDF, 1.71 MB

english, 2018

27

QSAR modeling of toxicity of diverse organic chemicals to Daphnia magna using 2D and 3D descriptors

Supratik Kar, Kunal Roy

Journal:

Journal of Hazardous Materials

Year:

2010

Language:

english

File:

PDF, 576 KB

english, 2010

28

On some aspects of validation of predictive quantitative structure–activity relationship models

Journal:

Expert Opinion on Drug Discovery

Year:

2007

Language:

english

File:

PDF, 189 KB

english, 2007

29

[Methods in Pharmacology and Toxicology] Multi-Target Drug Design Using Chem-Bioinformatic Approaches || Integrating, Predicting and Preventing Flow Assurance Issues—A Review

Year:

2019

Language:

english

File:

PDF, 892 KB

english, 2019

30

Ecotoxicological QSAR modeling of organic compounds against fish: Application of fragment based descriptors in feature analysis

Khan, Kabiruddin, Baderna, Diego, Cappelli, Claudia, Toma, Cosimo, Lombardo, Anna, Roy, Kunal, Benfenati, Emilio

Journal:

Aquatic Toxicology

Year:

2019

Language:

english

File:

PDF, 2.01 MB

english, 2019

31

Folic acid conjugated curcumin loaded biopolymeric gum acacia microsphere for triple negative breast cancer therapy in invitro and invivo model

Pal, Kunal, Roy, Shubham, Parida, Pravat Kumar, Dutta, Ananya, Bardhan, Souravi, Das, Sukhen, Jana, Kuladip, Karmakar, Parimal

Journal:

Materials Science and Engineering: C

Year:

2018

Language:

english

File:

PDF, 7.69 MB

english, 2018

32

Exploring QSARs with Extended Topochemical Atom (ETA) Indices for Modeling Chemical and Drug Toxicity

Roy, Kunal, Ghosh, Gopinath

Journal:

Current Pharmaceutical Design

Year:

2010

Language:

english

File:

PDF, 414 KB

english, 2010

33

Chemometric modeling of odor threshold property of diverse aroma components of wine

Ojha, Probir Kumar, Roy, Kunal

Journal:

Year:

2018

Language:

english

File:

PDF, 704 KB

english, 2018

34

Application of multilayered strategy for variable selection in QSAR modeling of PET and SPECT imaging agents as diagnostic agents for Alzheimer’s disease

De, Priyanka, Bhattacharyya, Dhananjay, Roy, Kunal

Journal:

Structural Chemistry

Year:

2019

Language:

english

File:

PDF, 4.70 MB

english, 2019

35

Comparative Studies on Some Metrics for External Validation of QSPR Models

Roy, Kunal, Mitra, Indrani, Kar, Supratik, Ojha, Probir Kumar, Das, Rudra Narayan, Kabir, Humayun

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 399 KB

english, 2012

36

How important is to detect systematic error in predictions and understand statistical applicability domain of QSAR models?

Roy, Kunal, Ambure, Pravin, Aher, Rahul B.

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2017

Language:

english

File:

PDF, 1.47 MB

english, 2017

37

Deposition of hydrogenated amorphous carbon films with enhanced sp3-C bonding on nanocrystalline palladium interlayer

Roy, M., Mali, Kunal, Joshi, Niraj, Misra, D.S., Kulshreshtha, S.K.

Journal:

Diamond and Related Materials

Year:

2007

Language:

english

File:

PDF, 1.24 MB

english, 2007

38

[Challenges and Advances in Computational Chemistry and Physics] Advances in QSAR Modeling Volume 24 ||

Year:

2017

Language:

english

File:

PDF, 12.13 MB

english, 2017

39

[Methods in Pharmacology and Toxicology] Multi-Target Drug Design Using Chem-Bioinformatic Approaches || Estimating Belowground Free Phase Gas (FPG) in Tropical Peatlands of South-West Coast of India Using Ground Penetrating Radar (GPR)

Year:

2019

File:

PDF, 619 KB

2019

40

Ecotoxicological QSAR Modeling of Endocrine Disruptor Chemicals

Khan, Kabiruddin, Roy, Kunal, Benfenati, Emilio

Journal:

Journal of Hazardous Materials

Year:

2019

Language:

english

File:

PDF, 1.89 MB

english, 2019

41

Prediction of maximum oil-yield from almond seed in a chemical industry: A novel type-2 fuzzy logic approach

Roy, Kunal, Mukherjee, Anupam, Jana, Dipak Kumar

Journal:

South African Journal of Chemical Engineering

Year:

2019

File:

PDF, 2.48 MB

2019

42

Nanoparticle Size-Dependent Antibacterial Activities in Natural Minerals

Bardhan, Souravi, Pal, Kunal, Roy, Shubham, Das, Solanky, Chakraborty, Abhijit, Karmakar, Parimal, Basu, Ruma, Das, Sukhen

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2019

Language:

english

File:

PDF, 28.07 MB

english, 2019

43

QSPR of n-Octanol/Water Partition Coefficient of Nonionic Organic Compounds Using Extended Topochemical Atom (ETA) Indices

Kunal Roy, Indrani Sanyal, Gopinath Ghosh

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 203 KB

english, 2007

44

Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: Ranking and prioritization of the DrugBank database compounds

Khan, Kabiruddin, Benfenati, Emilio, Roy, Kunal

Journal:

Ecotoxicology and Environmental Safety

Year:

2019

Language:

english

File:

PDF, 1.58 MB

english, 2019

45

Classical QSAR Modeling of CCR5 Receptor Binding Affinity of Substituted Benzylpyrazoles

J. Thomas Leonard, Kunal Roy

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 222 KB

english, 2004

46

Comparative QSAR Studies of CYP1A2 Inhibitor Flavonoids Using 2D and 3D Descriptors

Kunal Roy, Partha Pratim Roy

Journal:

Chemical Biology & Drug Design

Year:

2008

Language:

english

File:

PDF, 243 KB

english, 2008

47

[Neuromethods] Computational Modeling of Drugs Against Alzheimer’s Disease Volume 132 || Computational Nanotechnology: A Tool for Screening Therapeutic Nanomaterials Against Alzheimer’s Disease

Year:

2018

Language:

english

File:

PDF, 1.11 MB

english, 2018

48

Qualitative model optimization of almond (Terminalia catappa) oil using soxhlet extraction in type-2 fuzzy environment

Mukherjee, Anupam, Roy, Kunal, Jana, Dipak K., Hossain, Sheikh A.

Journal:

Soft Computing - A Fusion of Foundations, Methodologies and Applications

Year:

2019

Language:

english

File:

PDF, 2.79 MB

english, 2019

49

QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors

Khan, Kabiruddin, Khan, Pathan Mohsin, Lavado, Giovanna, Valsecchi, Cecile, Pasqualini, Julia, Baderna, Diego, Marzo, Marco, Lombardo, Anna, Roy, Kunal, Benfenati, Emilio

Journal:

Year:

2019

Language:

english

File:

PDF, 2.28 MB

english, 2019

50

Electrotopological State Atom (E-State) Index in Drug Design, QSAR, Property Prediction and Toxicity Assessment

Roy, Kunal, Mitra, Indrani

Journal:

Current Computer - Aided Drug Design

Year:

2012

Language:

english

File:

PDF, 404 KB

english, 2012

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