0000-0002-3367-578X Employment
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Publications (104)
- From MMP cliffs to binding interactions: An integrated Read-across and deep learning-based investigation of MMP-12 inhibitors to elucidate S1′ pocket recognition Save
- MSR-ARN: A Multiscale Residual Attentive Deep Learning Framework for Chemical Space-Guided Prediction of Selective MMP-12 Inhibitors Save
- A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models Save
- An integrated machine learning and chemical space network approach for the design of potent epigenetic HDAC6 inhibitors for targeting neurological disorders Save
- Nitrogen-containing heterocycles as important scaffold for selective and potent HDAC8 inhibition: a step towards effective, non-toxic and selective HDAC8 inhibitor discovery Save
- Read‐Across Structure‐Property Relationship‐Based Superior Prediction of Fraction Unbound in Plasma from Chemical Structure: Interpretable Models with Minimum Descriptors Save
- A new class of indole-based HDAC8 inhibitors as potential anti-lung cancer agents: in silico design, synthesis, biological assessment and binding interaction analysis Save
- Machine learning-assisted comparative QSTR, i-QSTTR, qRASTR, and i-qRASTTR modelling for toxicity of Ionic liquids against three different bacteria S. aureus, E. coli, and P. aeruginosa Save
- Machine learning-based structural analysis of OATP1B1 interactors/non-interactors: Discriminating toxic and non-toxic alerts for transporter-mediated toxicity Save
- First report on analysis of chemical space, scaffold diversity, critical structural features of HDAC11 inhibitors Save