Indrani Mitra

National Institute of Technology Agartala — India

Computer Science · Physical Sciences

18h-index3.3kcitations34works0.02yr avg
OpenAlex↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(26), Free Radicals and Antioxidants(18), Phytochemicals and Antioxidant Activities(8), Synthesis and biological activity(7), Machine Learning in Materials Science(3)

Publications34 total

In vitro cytotoxic study of Croton caudatus Geiseler – a traditionally known anticancerous plant in North-east India
Pleione·2018· 2 citedOpen Access
Design, synthesis and exploring the quantitative structure–activity relationship of some antioxidant flavonoid analogues
Bioorganic & Medicinal Chemistry Letters·2014· 55 cited
QSPR Modeling of Odor Threshold of Aliphatic Alcohols Using Extended Topochemical Atom (ETA) Indices
Croatica Chemica Acta·2014· 11 citedOpen Access
A quantitative structure–property relationship approach to determine the essential molecular functionalities of potent odorants
Flavour and Fragrance Journal·2013· 5 cited
Predictive Chemometric Modeling of DPPH Free Radical-Scavenging Activity of Azole Derivatives Using 2D- and 3D-Quantitative Structure–Activity Relationship Tools
Future Medicinal Chemistry·2013· 6 cited
Quantification of contributions of different molecular fragments for antioxidant activity of coumarin derivatives based on QSAR analyses
Canadian Journal of Chemistry·2013· 14 cited
Predictive QSPR modelling for the olfactory threshold of a series of pyrazine derivatives
Flavour and Fragrance Journal·2013· 9 cited
Some case studies on application of “<i>r</i><sub><i>m</i></sub><sup>2</sup>” metrics for judging quality of quantitative structure–activity relationship predictions: Emphasis on scaling of response data
Journal of Computational Chemistry·2013· 453 cited
Predictive Modeling of Antioxidant Coumarin Derivatives Using Multiple Approaches: Descriptor Based QSAR, 3D-Pharmacophore Mapping, and HQSAR
Scientia Pharmaceutica·2013· 23 citedOpen Access
Lead Hopping for <i>Pf</i>DHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three‐Layered Virtual Screening Approach
Molecular Informatics·2012· 10 cited
Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models
Chemometrics and Intelligent Laboratory Systems·2012· 75 cited
Electrotopological State Atom (E-State) Index in Drug Design, QSAR, Property Prediction and Toxicity Assessment
Current Computer - Aided Drug Design·2012· 78 cited
In silico development, validation and comparison of predictive QSAR models for lipid peroxidation inhibitory activity of cinnamic acid and caffeic acid derivatives using multiple chemometric and cheminformatics tools
Journal of Molecular Modeling·2012· 14 cited
Comparative Studies on Some Metrics for External Validation of QSPR Models
Journal of Chemical Information and Modeling·2011· 449 cited
Development of multiple QSAR models for consensus predictions and unified mechanistic interpretations of the free-radical scavenging activities of chromone derivatives
Journal of Molecular Modeling·2011· 24 cited
On Various Metrics Used for Validation of Predictive QSAR Models with Applications in Virtual Screening and Focused Library Design
Combinatorial Chemistry & High Throughput Screening·2011· 311 cited
Further exploring r metrics for validation of QSPR models
Chemometrics and Intelligent Laboratory Systems·2011· 546 cited
QSPR of antioxidant phenolic compounds using quantum chemical descriptors
Molecular Simulation·2011· 7 cited
Chemometric QSAR Modeling and In Silico Design of Antioxidant NO Donor Phenols
Scientia Pharmaceutica·2010· 31 citedOpen Access
Exploring quantitative structure–activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants
Molecular Simulation·2010· 294 cited
page 1 of 2Next →

Frequent Co-authors

Kunal Roy(26), Achintya Saha(11), Probir Kumar Ojha(6), Rudra Narayan Das(5), Supratik Kar(5), Partha Pratim Roy(3), Pallabi Pal(3), Somnath Paul(2), Md. Humayun Kabir(2), C. K. Varshney(2), Pratim Chakraborty(1), Sreeparna Das(1), Shaikh Batuta(1), Md. Niharul Alam(1), Naznin Ara Begum(1), Sikha Sikdar(1), Bishnu P. Chatterjee(1), Biplab De(1), Manabendra Dutta Choudhury(1), Satya Paul(1)