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Kunal Roy

@krin2010

Professor, Pharmaceutical Technology, Jadavpur University, India
India
Joined March 2010
48 Following
115 Followers
640 Posts
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Kunal Roy @krin2010
First report of q-RASAR modeling towards an approach of easy interpretability and efficient transferability https://t.co/mry9vNq7FY #compchem #QSAR #Cheminformatics #RASAR #Raedacross
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Kunal Roy @krin2010
๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š (@SpringerNature , https://t.co/YuVYEBuYrz) 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
krin2010's tweet photo. ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š (@SpringerNature , https://t.co/YuVYEBuYrz) 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 https://t.co/wVB9j3pIzt
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Kunal Roy @krin2010
Just Published!!! ๐‚๐ก๐ž๐ฆ๐ข๐ง๐Ÿ๐จ๐ซ๐ฆ๐š๐ญ๐ข๐œ ๐Œ๐จ๐๐ž๐ฅ๐ข๐ง๐  ๐š๐ง๐ ๐ƒ๐š๐ญ๐š ๐†๐š๐ฉ ๐…๐ข๐ฅ๐ฅ๐ข๐ง๐  ๐Ÿ๐จ๐ซ ๐š ๐†๐ซ๐ž๐ž๐ง ๐š๐ง๐ ๐’๐ฎ๐ฌ๐ญ๐š๐ข๐ง๐š๐›๐ฅ๐ž ๐„๐ง๐ฏ๐ข๐ซ๐จ๐ง๐ฆ๐ž๐ง๐ญ @ElsevierConnect https://t.co/MZwXIZtrVF #GreenChemistry #Sustainable #Cheminformatics
krin2010's tweet photo. Just Published!!! ๐‚๐ก๐ž๐ฆ๐ข๐ง๐Ÿ๐จ๐ซ๐ฆ๐š๐ญ๐ข๐œ ๐Œ๐จ๐๐ž๐ฅ๐ข๐ง๐  ๐š๐ง๐ ๐ƒ๐š๐ญ๐š ๐†๐š๐ฉ ๐…๐ข๐ฅ๐ฅ๐ข๐ง๐  ๐Ÿ๐จ๐ซ ๐š ๐†๐ซ๐ž๐ž๐ง ๐š๐ง๐ ๐’๐ฎ๐ฌ๐ญ๐š๐ข๐ง๐š๐›๐ฅ๐ž ๐„๐ง๐ฏ๐ข๐ซ๐จ๐ง๐ฆ๐ž๐ง๐ญ @ElsevierConnect https://t.co/MZwXIZtrVF #GreenChemistry #Sustainable #Cheminformatics https://t.co/4EJVrum8lM
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Kunal Roy @krin2010
Glad to receive the @SpringerNature Editor of Distinction Award for ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š (https://t.co/YuVYEBuYrz) #Award #Recognition #Springer #MolecularDiversity
krin2010's tweet photo. Glad to receive the @SpringerNature Editor of Distinction Award for ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š (https://t.co/YuVYEBuYrz) #Award #Recognition #Springer #MolecularDiversity https://t.co/DF9lSQMzhM
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Alvascience
@alvascience
Software Solutions for Cheminformatics and QSAR #QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem https://t.co/DAPqh9KCqH
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Bakhtiyor Rasulev
@bakhras
#CompChem professor at NDSU, specializing in cheminformatics, machine learning, AI in materials, coatings and polymeric materials
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Milano Chemometrics and QSAR Research Group
@MiChemQSAR
MiChem research group (@unimib): #Chemometrics & #QSAR, #machine #learning, multivariate modelling for #chemoinformatics and #analytical chemistry
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Kunal Roy @krin2010
Editorial: https://t.co/xWkKKFlsIh @SpringerNature #ArtificialIntelligence #MachineLearning #DrugDiscovery #Cheminformatics #Chemometrics
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Kunal Roy @krin2010
๐‘บ๐’‘๐’†๐’„๐’Š๐’‚๐’ ๐‘ฐ๐’”๐’”๐’–๐’† ๐’๐’‡ ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š (๐‘บ๐’‘๐’“๐’Š๐’๐’ˆ๐’†๐’“ ๐‘ต๐’‚๐’•๐’–๐’“๐’†): ๐‘จ๐‘ฐ ๐’‚๐’๐’… ๐‘ด๐‘ณ ๐’‡๐’๐’“ ๐‘บ๐’Ž๐’‚๐’๐’ ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’† ๐‘ซ๐’“๐’–๐’ˆ ๐‘ซ๐’Š๐’”๐’„๐’๐’—๐’†๐’“๐’š ๐’Š๐’ ๐’•๐’‰๐’† ๐‘ฉ๐’Š๐’ˆ ๐‘ซ๐’‚๐’•๐’‚ ๐‘ฌ๐’“๐’‚ ๐‘ฐ๐‘ฝ https://t.co/i4Q7atpRh3 @SpringerNature
krin2010's tweet photo. ๐‘บ๐’‘๐’†๐’„๐’Š๐’‚๐’ ๐‘ฐ๐’”๐’”๐’–๐’† ๐’๐’‡ ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š (๐‘บ๐’‘๐’“๐’Š๐’๐’ˆ๐’†๐’“ ๐‘ต๐’‚๐’•๐’–๐’“๐’†): ๐‘จ๐‘ฐ ๐’‚๐’๐’… ๐‘ด๐‘ณ ๐’‡๐’๐’“ ๐‘บ๐’Ž๐’‚๐’๐’ ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’† ๐‘ซ๐’“๐’–๐’ˆ ๐‘ซ๐’Š๐’”๐’„๐’๐’—๐’†๐’“๐’š ๐’Š๐’ ๐’•๐’‰๐’† ๐‘ฉ๐’Š๐’ˆ ๐‘ซ๐’‚๐’•๐’‚ ๐‘ฌ๐’“๐’‚ ๐‘ฐ๐‘ฝ https://t.co/i4Q7atpRh3 @SpringerNature https://t.co/x0Y7nDtm9C
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Kunal Roy @krin2010
The first paper on #qRASAR was published by the DTC Laboratory, Jadavpur University in June 2022: https://t.co/bB3dB9o5mO A SCOPUS search using the keyword "q-RASAR" made on May 1, 2026, returned 51 articles published in the last 4 years. https://t.co/7YHv7gpMe7
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Kunal Roy @krin2010
More about q-RASAR: https://t.co/L1pMqLIl5f More about ARKA: https://t.co/rSjH3ksZir Arkaprava Banerjee From DTC Laboratory, Jadavpur University #QSAR #readacross #similarity #activitycliffs #cheminformatics #chemometrics #machinelearning #modeling #predictions #validation
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Kunal Roy @krin2010
The integration of the #qRASAR with the #ARKA framework provides novel measures of similarity and indices for activity cliffs. ๐“๐ก๐ž ๐ช-๐‘๐€๐’๐€๐‘ ๐’๐ฉ๐ซ๐ข๐ง๐ ๐ž๐ซ๐๐ซ๐ข๐ž๐Ÿ: https://t.co/lacAlS9uSe ๐“๐ก๐ž ๐€๐‘๐Š๐€ ๐’๐ฉ๐ซ๐ข๐ง๐ ๐ž๐ซ๐๐ซ๐ข๐ž๐Ÿ: https://t.co/bcwfOMpH81
krin2010's tweet photo. The integration of the #qRASAR with the #ARKA framework provides novel measures of similarity and indices for activity cliffs. ๐“๐ก๐ž ๐ช-๐‘๐€๐’๐€๐‘ ๐’๐ฉ๐ซ๐ข๐ง๐ ๐ž๐ซ๐๐ซ๐ข๐ž๐Ÿ: https://t.co/lacAlS9uSe ๐“๐ก๐ž ๐€๐‘๐Š๐€ ๐’๐ฉ๐ซ๐ข๐ง๐ ๐ž๐ซ๐๐ซ๐ข๐ž๐Ÿ: https://t.co/bcwfOMpH81 https://t.co/txiThpQtTb
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Kunal Roy @krin2010
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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Kunal Roy @krin2010
๐€ ๐ซ๐ž๐š๐-๐š๐œ๐ซ๐จ๐ฌ๐ฌ ๐๐š๐ญ๐š ๐ ๐š๐ฉ ๐Ÿ๐ข๐ฅ๐ฅ๐ข๐ง๐  ๐š๐ฉ๐ฉ๐ซ๐จ๐š๐œ๐ก ๐Ÿ๐จ๐ซ ๐ญ๐ก๐ž ๐ž๐ฆ๐ข๐ฌ๐ฌ๐ข๐จ๐ง ๐จ๐Ÿ ๐•๐จ๐ฅ๐š๐ญ๐ข๐ฅ๐ž ๐Ž๐ซ๐ ๐š๐ง๐ข๐œ ๐‚๐จ๐ฆ๐ฉ๐จ๐ฎ๐ง๐๐ฌ (๐•๐Ž๐‚๐ฌ) ๐ข๐ง ๐ฉ๐ฅ๐š๐ฌ๐ญ๐ข๐œ ๐ฐ๐š๐ฌ๐ญ๐ž ๐ซ๐ž๐œ๐ฒ๐œ๐ฅ๐ข๐ง๐  https://t.co/a4CE2DphAM (Open Access)
krin2010's tweet photo. ๐€ ๐ซ๐ž๐š๐-๐š๐œ๐ซ๐จ๐ฌ๐ฌ ๐๐š๐ญ๐š ๐ ๐š๐ฉ ๐Ÿ๐ข๐ฅ๐ฅ๐ข๐ง๐  ๐š๐ฉ๐ฉ๐ซ๐จ๐š๐œ๐ก ๐Ÿ๐จ๐ซ ๐ญ๐ก๐ž ๐ž๐ฆ๐ข๐ฌ๐ฌ๐ข๐จ๐ง ๐จ๐Ÿ ๐•๐จ๐ฅ๐š๐ญ๐ข๐ฅ๐ž ๐Ž๐ซ๐ ๐š๐ง๐ข๐œ ๐‚๐จ๐ฆ๐ฉ๐จ๐ฎ๐ง๐๐ฌ (๐•๐Ž๐‚๐ฌ) ๐ข๐ง ๐ฉ๐ฅ๐š๐ฌ๐ญ๐ข๐œ ๐ฐ๐š๐ฌ๐ญ๐ž ๐ซ๐ž๐œ๐ฒ๐œ๐ฅ๐ข๐ง๐  https://t.co/a4CE2DphAM (Open Access) https://t.co/G5awXOgAaE
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Kunal Roy @krin2010
Certificate of Recognition and Appreciation from the @AmerChemSociety DTC Laboratory, Jadavpur University #PeerReview #Journals #ACS #Recognition
krin2010's tweet photo. Certificate of Recognition and Appreciation from the @AmerChemSociety DTC Laboratory, Jadavpur University #PeerReview #Journals #ACS #Recognition https://t.co/8brqRdEeW4
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Kunal Roy @krin2010
More details: https://t.co/A3NdxmTJHh #QSAR #Cheminformatics #ARKA #DimensionalityReduction #Chemometrics #RASAR
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Kunal Roy @krin2010
๐€๐‘๐Š๐€ ๐ƒ๐ž๐ฌ๐œ๐ซ๐ข๐ฉ๐ญ๐จ๐ซ๐ฌ ๐ŸŽ.๐Ÿ.๐ŸŽ ๐๐ฒ๐ญ๐ก๐จ๐ง ๐๐š๐œ๐ค๐š๐ ๐ž ๐ˆ๐ง๐๐ž๐ฑ ๐Œ๐จ๐๐ฎ๐ฅ๐ž https://t.co/RhBD66NYpg ๐ˆ๐ง๐ฌ๐ญ๐š๐ฅ๐ฅ๐š๐ญ๐ข๐จ๐ง pip install arka_descriptors Source paper: Environ. Sci.: Processes Impacts, 2024,26, 991-1007, https://t.co/yR0bGqQV6m
krin2010's tweet photo. ๐€๐‘๐Š๐€ ๐ƒ๐ž๐ฌ๐œ๐ซ๐ข๐ฉ๐ญ๐จ๐ซ๐ฌ ๐ŸŽ.๐Ÿ.๐ŸŽ ๐๐ฒ๐ญ๐ก๐จ๐ง ๐๐š๐œ๐ค๐š๐ ๐ž ๐ˆ๐ง๐๐ž๐ฑ ๐Œ๐จ๐๐ฎ๐ฅ๐ž https://t.co/RhBD66NYpg ๐ˆ๐ง๐ฌ๐ญ๐š๐ฅ๐ฅ๐š๐ญ๐ข๐จ๐ง pip install arka_descriptors Source paper: Environ. Sci.: Processes Impacts, 2024,26, 991-1007, https://t.co/yR0bGqQV6m https://t.co/4GZibnJjFX
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Kunal Roy @krin2010
#ArtificialIntelligence #MachineLearning #BigData #DrugDiscovery #Predictions #Modeling #Cheminformatics #MolecularDiversity #SpringerNature
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Kunal Roy @krin2010
๐€๐ˆ ๐š๐ง๐ ๐Œ๐‹ ๐Ÿ๐จ๐ซ ๐ฌ๐ฆ๐š๐ฅ๐ฅ ๐ฆ๐จ๐ฅ๐ž๐œ๐ฎ๐ฅ๐ž ๐๐ซ๐ฎ๐  ๐๐ข๐ฌ๐œ๐จ๐ฏ๐ž๐ซ๐ฒ ๐ข๐ง ๐ญ๐ก๐ž ๐›๐ข๐  ๐๐š๐ญ๐š ๐ž๐ซ๐š ๐ˆ๐• ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š, 2026, https://t.co/wB6z49pEjD Shared Link: https://t.co/r7gox5qLFI https://t.co/egd7H2OKsb @SpringerNature
krin2010's tweet photo. ๐€๐ˆ ๐š๐ง๐ ๐Œ๐‹ ๐Ÿ๐จ๐ซ ๐ฌ๐ฆ๐š๐ฅ๐ฅ ๐ฆ๐จ๐ฅ๐ž๐œ๐ฎ๐ฅ๐ž ๐๐ซ๐ฎ๐  ๐๐ข๐ฌ๐œ๐จ๐ฏ๐ž๐ซ๐ฒ ๐ข๐ง ๐ญ๐ก๐ž ๐›๐ข๐  ๐๐š๐ญ๐š ๐ž๐ซ๐š ๐ˆ๐• ๐‘ด๐’๐’๐’†๐’„๐’–๐’๐’‚๐’“ ๐‘ซ๐’Š๐’—๐’†๐’“๐’”๐’Š๐’•๐’š, 2026, https://t.co/wB6z49pEjD Shared Link: https://t.co/r7gox5qLFI https://t.co/egd7H2OKsb @SpringerNature https://t.co/z1hq7y6bMm
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Kunal Roy @krin2010
๐‚๐š๐ฅ๐ฅ ๐…๐จ๐ซ ๐๐š๐ฉ๐ž๐ซ๐ฌ! Special Issue of ๐‘จ๐’“๐’•๐’Š๐’‡๐’Š๐’„๐’Š๐’‚๐’ ๐‘ฐ๐’๐’•๐’†๐’๐’๐’Š๐’ˆ๐’†๐’๐’„๐’† ๐‘ช๐’‰๐’†๐’Ž๐’Š๐’”๐’•๐’“๐’š (๐‘ฌ๐’๐’”๐’†๐’—๐’Š๐’†๐’“) https://t.co/WwjJsmADyL ๐Ÿ๐ŸŽ๐ŸŽ% ๐€๐๐‚ waived. ๐’๐ฎ๐›๐ฆ๐ข๐ฌ๐ฌ๐ข๐จ๐ง ๐ƒ๐ž๐š๐๐ฅ๐ข๐ง๐ž: ๐ƒ๐ž๐œ ๐Ÿ‘๐Ÿ, ๐Ÿ๐ŸŽ๐Ÿ๐Ÿ”
krin2010's tweet photo. ๐‚๐š๐ฅ๐ฅ ๐…๐จ๐ซ ๐๐š๐ฉ๐ž๐ซ๐ฌ! Special Issue of ๐‘จ๐’“๐’•๐’Š๐’‡๐’Š๐’„๐’Š๐’‚๐’ ๐‘ฐ๐’๐’•๐’†๐’๐’๐’Š๐’ˆ๐’†๐’๐’„๐’† ๐‘ช๐’‰๐’†๐’Ž๐’Š๐’”๐’•๐’“๐’š (๐‘ฌ๐’๐’”๐’†๐’—๐’Š๐’†๐’“) https://t.co/WwjJsmADyL ๐Ÿ๐ŸŽ๐ŸŽ% ๐€๐๐‚ waived. ๐’๐ฎ๐›๐ฆ๐ข๐ฌ๐ฌ๐ข๐จ๐ง ๐ƒ๐ž๐š๐๐ฅ๐ข๐ง๐ž: ๐ƒ๐ž๐œ ๐Ÿ‘๐Ÿ, ๐Ÿ๐ŸŽ๐Ÿ๐Ÿ” https://t.co/C19JRZ6Kvb
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krin2010's profile image
Kunal Roy @krin2010
Good news! My article received enough citations to be a Top Cited Article. Read it here https://t.co/qPfAMbMCr3 #TopCitedArticle @wileyinresearch
krin2010's tweet photo. Good news! My article received enough citations to be a Top Cited Article. Read it here https://t.co/qPfAMbMCr3 #TopCitedArticle @wileyinresearch https://t.co/4giEiqkFkF
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krin2010's profile image
Kunal Roy @krin2010
๐“๐ก๐ข๐ฌ ๐ฆ๐จ๐๐ฎ๐ฅ๐ž ๐ฌ๐ฎ๐ฉ๐ฉ๐จ๐ซ๐ญ๐ฌ ๐Ÿ๐ข๐ฏ๐ž ๐๐ข๐Ÿ๐Ÿ๐ž๐ซ๐ž๐ง๐ญ ๐ซ๐ž๐š๐-๐š๐œ๐ซ๐จ๐ฌ๐ฌ ๐ญ๐š๐ฌ๐ค๐ฌ: Pairwise similarity calculation Read-across prediction Read-across optimization Read-across feature importance calculation RASAR descriptor calculation #Python #Cheminformatics
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krin2010's profile image
Kunal Roy @krin2010
๐‘๐€๐’๐€๐‘ ๐ŸŽ.๐Ÿ.๐Ÿ ๐๐ฒ๐ญ๐ก๐จ๐ง ๐๐š๐œ๐ค๐š๐ ๐ž ๐ˆ๐ง๐๐ž๐ฑ ๐Œ๐จ๐๐ฎ๐ฅ๐ž The components of this module can be used for read-across related calculations. https://t.co/1xFngFtsrq ๐ˆ๐ง๐ฌ๐ญ๐š๐ฅ๐ฅ๐š๐ญ๐ข๐จ๐ง pip install rasar
krin2010's tweet photo. ๐‘๐€๐’๐€๐‘ ๐ŸŽ.๐Ÿ.๐Ÿ ๐๐ฒ๐ญ๐ก๐จ๐ง ๐๐š๐œ๐ค๐š๐ ๐ž ๐ˆ๐ง๐๐ž๐ฑ ๐Œ๐จ๐๐ฎ๐ฅ๐ž The components of this module can be used for read-across related calculations. https://t.co/1xFngFtsrq ๐ˆ๐ง๐ฌ๐ญ๐š๐ฅ๐ฅ๐š๐ญ๐ข๐จ๐ง pip install rasar https://t.co/zlkkwGMduZ
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krin2010's profile image
Kunal Roy @krin2010
Our work has been featured on the Royal Society of Chemistry journal Environ Sci: Processes and Impacts, March 2026 Issue Environ. Sci.: Processes Impacts, 2026,28, 699-711 https://t.co/Cddii5VB1v Work Funded by @DRDO_India Ministry of Defence, Govt. of India #QSAR
krin2010's tweet photo. Our work has been featured on the Royal Society of Chemistry journal Environ Sci: Processes and Impacts, March 2026 Issue Environ. Sci.: Processes Impacts, 2026,28, 699-711 https://t.co/Cddii5VB1v Work Funded by @DRDO_India Ministry of Defence, Govt. of India #QSAR https://t.co/0uPAvokSNZ
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