Professor, Pharmaceutical Technology, Jadavpur University, India
Joined March 2010
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First report of q-RASAR modeling towards an approach of easy interpretability and efficient transferability
doi.org/10.26434/chemrxiv-20โฆ
#compchem #QSAR #Cheminformatics #RASAR #Raedacross
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OralAbsPredict: A data-driven framework to predict human intestinal absorption (HIA) and human oral bioavailability (HOB) from chemical structures
doi.org/10.1016/j.ejmech.202โฆ
#InstestinalAbsorption #OralBioavailability #Tool #Predictions #DTCLab #Cheminformatics #MachineLearning
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A round-robin exercise for the precise prediction of aqueous solubility
Journal of Computer-Aided Molecular Design (2026) 40:143
@SpringerNature
doi.org/10.1007/s10822-026-0โฆ
#Cheminformatics #RoundRobin #Solubility #Predictions #Validation #MachineLearning #DeepLearning #qRASAR
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Now on ScienceDirect!
Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment (@ElsevierConnect 2026)
doi.org/10.1016/C2024-0-0237โฆ
ISBN: 978-0-443-36474-7
#Cheminformatics #DataGap #Green #Sustainable #Environment
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๐ด๐๐๐๐๐๐๐๐ ๐ซ๐๐๐๐๐๐๐๐ (@SpringerNature , link.springer.com/journal/11โฆ) has received a CiteScore of 7.9 (2025).
It ranked #35 out of 215 (83rd Percentile) in the Organic Chemistry category (source SCOPUS).
#CiteScore #MODI #MolecularDiversity #Ranking
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Just Published!!!
๐๐ก๐๐ฆ๐ข๐ง๐๐จ๐ซ๐ฆ๐๐ญ๐ข๐ ๐๐จ๐๐๐ฅ๐ข๐ง๐ ๐๐ง๐ ๐๐๐ญ๐ ๐๐๐ฉ ๐
๐ข๐ฅ๐ฅ๐ข๐ง๐ ๐๐จ๐ซ ๐ ๐๐ซ๐๐๐ง ๐๐ง๐ ๐๐ฎ๐ฌ๐ญ๐๐ข๐ง๐๐๐ฅ๐ ๐๐ง๐ฏ๐ข๐ซ๐จ๐ง๐ฆ๐๐ง๐ญ
@ElsevierConnect
shop.elsevier.com/books/chemโฆ
#GreenChemistry #Sustainable #Cheminformatics
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Glad to receive the @SpringerNature Editor of Distinction Award for ๐ด๐๐๐๐๐๐๐๐ ๐ซ๐๐๐๐๐๐๐๐ (link.springer.com/journal/11โฆ)
#Award #Recognition #Springer #MolecularDiversity
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๐บ๐๐๐๐๐๐ ๐ฐ๐๐๐๐ ๐๐ ๐ด๐๐๐๐๐๐๐๐ ๐ซ๐๐๐๐๐๐๐๐ (๐บ๐๐๐๐๐๐๐ ๐ต๐๐๐๐๐): ๐จ๐ฐ ๐๐๐
๐ด๐ณ ๐๐๐ ๐บ๐๐๐๐ ๐ด๐๐๐๐๐๐๐ ๐ซ๐๐๐ ๐ซ๐๐๐๐๐๐๐๐ ๐๐ ๐๐๐ ๐ฉ๐๐ ๐ซ๐๐๐ ๐ฌ๐๐ ๐ฐ๐ฝ
link.springer.com/journal/11โฆ
@SpringerNature
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The first paper on #qRASAR was published by the DTC Laboratory, Jadavpur University in June 2022: doi.org/10.1007/s11030-022-1โฆ
A SCOPUS search using the keyword "q-RASAR" made on May 1, 2026, returned 51 articles published in the last 4 years. scopus.com/pages/search/publโฆ
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The integration of the #qRASAR with the #ARKA framework provides novel measures of similarity and indices for activity cliffs.
๐๐ก๐ ๐ช-๐๐๐๐๐ ๐๐ฉ๐ซ๐ข๐ง๐ ๐๐ซ๐๐ซ๐ข๐๐: link.springer.com/book/10.10โฆ
๐๐ก๐ ๐๐๐๐ ๐๐ฉ๐ซ๐ข๐ง๐ ๐๐ซ๐๐ซ๐ข๐๐: link.springer.com/book/10.10โฆ
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More about q-RASAR: sites.google.com/site/kunalrโฆ More about ARKA: sites.google.com/site/kunalrโฆ Arkaprava Banerjee From DTC Laboratory, Jadavpur University #QSAR #readacross #similarity #activitycliffs #cheminformatics #chemometrics #machinelearning #modeling #predictions #validation
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๐ ๐ซ๐๐๐-๐๐๐ซ๐จ๐ฌ๐ฌ ๐๐๐ญ๐ ๐ ๐๐ฉ ๐๐ข๐ฅ๐ฅ๐ข๐ง๐ ๐๐ฉ๐ฉ๐ซ๐จ๐๐๐ก ๐๐จ๐ซ ๐ญ๐ก๐ ๐๐ฆ๐ข๐ฌ๐ฌ๐ข๐จ๐ง ๐จ๐ ๐๐จ๐ฅ๐๐ญ๐ข๐ฅ๐ ๐๐ซ๐ ๐๐ง๐ข๐ ๐๐จ๐ฆ๐ฉ๐จ๐ฎ๐ง๐๐ฌ (๐๐๐๐ฌ) ๐ข๐ง ๐ฉ๐ฅ๐๐ฌ๐ญ๐ข๐ ๐ฐ๐๐ฌ๐ญ๐ ๐ซ๐๐๐ฒ๐๐ฅ๐ข๐ง๐
doi.org/10.1016/j.nxsust.202โฆ (Open Access)
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This study employs a read-across approach, generating similarity-based hypotheses to predict the removal efficiency of VOCs (Volatile Organic Compounds) during the recycling of plastic film waste.
#readacross #predictions #Cheminformatics #datagapfilling #sustainability
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Certificate of Recognition and Appreciation from the @AmerChemSociety
DTC Laboratory, Jadavpur University
#PeerReview #Journals #ACS #Recognition
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๐๐๐๐ ๐๐๐ฌ๐๐ซ๐ข๐ฉ๐ญ๐จ๐ซ๐ฌ ๐.๐.๐ ๐๐ฒ๐ญ๐ก๐จ๐ง ๐๐๐๐ค๐๐ ๐ ๐๐ง๐๐๐ฑ ๐๐จ๐๐ฎ๐ฅ๐
pypi.org/project/arka-descriโฆ
๐๐ง๐ฌ๐ญ๐๐ฅ๐ฅ๐๐ญ๐ข๐จ๐ง pip install arka_descriptors
Source paper: Environ. Sci.: Processes Impacts, 2024,26, 991-1007, doi.org/10.1039/D4EM00173G
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๐๐ ๐๐ง๐ ๐๐ ๐๐จ๐ซ ๐ฌ๐ฆ๐๐ฅ๐ฅ ๐ฆ๐จ๐ฅ๐๐๐ฎ๐ฅ๐ ๐๐ซ๐ฎ๐ ๐๐ข๐ฌ๐๐จ๐ฏ๐๐ซ๐ฒ ๐ข๐ง ๐ญ๐ก๐ ๐๐ข๐ ๐๐๐ญ๐ ๐๐ซ๐ ๐๐
๐ด๐๐๐๐๐๐๐๐ ๐ซ๐๐๐๐๐๐๐๐, 2026, doi.org/10.1007/s11030-026-1โฆ
Shared Link: rdcu.be/fc2wq
link.springer.com/collectionโฆ
@SpringerNature
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๐๐๐ฅ๐ฅ ๐
๐จ๐ซ ๐๐๐ฉ๐๐ซ๐ฌ!
Special Issue of ๐จ๐๐๐๐๐๐๐๐๐ ๐ฐ๐๐๐๐๐๐๐๐๐๐๐ ๐ช๐๐๐๐๐๐๐๐ (๐ฌ๐๐๐๐๐๐๐)
sciencedirect.com/special-isโฆ
๐๐๐% ๐๐๐ waived. ๐๐ฎ๐๐ฆ๐ข๐ฌ๐ฌ๐ข๐จ๐ง ๐๐๐๐๐ฅ๐ข๐ง๐: ๐๐๐ ๐๐, ๐๐๐๐
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Good news! My article received enough citations to be a Top Cited Article. Read it here onlinelibrary.wiley.com/doi/โฆ #TopCitedArticle @wileyinresearch
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