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.202…
#InstestinalAbsorption #OralBioavailability #Tool #Predictions #DTCLab #Cheminformatics #MachineLearning
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Special Issue of Molecular Diversity (Springer Nature; Impact Factor 3.9) on AI and ML for Small Molecule Drug Discovery in the Big Data Era II
link.springer.com/journal/11…
#artificalintelligence #machinelearning #drugdiscovery #compchem #SpringerNature #DTCLab #JadavpurUniversity
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“ARKA” on the Spotlight………..
The DTC Laboratory Lab research on RSC Journal Back Cover (ESPI, June 2024 issue)
pubs.rsc.org/en/content/arti…
@EnvSciRSC
#ARKA #dtclab #JadavpurUniversity #activitycliff #modelability #Cheminfomatics #CompChem #MachineLearning #Environmental
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#qrasar research from #DTCLab published in one of the most respected Chemical Informatics Journals (Journal of Chemical Information and Modeling of American Chemical Society)
doi.org/10.1021/acs.jcim.4c0…
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DTC Laboratory, Jadavpur University thanks Dr. Natalia Cordeiro for her visit and lecture delivered at the Jadavpur University (22 January 2024)
#qsar #Cheminformatics #Chemometrics #dtclab #JadavpurUniversity
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The updated version of #DTCLab Unrestricted Tools Quantitative Read-Across (v4.2.1) and RASAR Descriptor Calculator (v3.0.2) are now available from sites.google.com/jadavpuruni…
Also visit sites.google.com/site/kunalr… to know more about #qRASAR
Software developed by @ArkaBanerjee16
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Read-Across and RASAR Tools from the DTC Laboratory, Jadavpur University
In Current Trends in Computational Modeling for Drug Discovery
(Edited by @SupratikKar and Jerzy Leszczynski), Humana, 2023
link.springer.com/chapter/10…
#dtclab #jadavpuruniversity #Springer
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q-RASAR Modeling of Cytotoxicity of TiO2-based Multi-component Nanomaterials
Preprints 2022, 2022100402
preprints.org/manuscript/202…
From facebook.com/dtclabju2022
#compchem #rasar #qsar #Cheminformatics #nanoinformatics #dtclab #environment @SupratikKar @ArkaBanerjee16
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