ASPIRE10x-ASPIRE10X – AI & ML Solutions for Drug Discovery & Clinical Research

Dr Reetu Sharma

Dr Reetu Sharma

AI-Driven Digital Health | Biomedical Data Analytics | Healthcare AI

Scientific Profile

Dr Reetu Sharma is an AI and Digital Health scientist with over 18 years of experience spanning biomedical data analytics, artificial intelligence, computational biology and applied healthcare research. She holds a PhD from the National University of Singapore and an MSc from IIT Bombay. Her work focuses on applying AI, machine learning and data-driven methods to healthcare, biomedical research and clinical applications. She has led the development of AI-enabled platforms for medical information, healthcare analytics, geromedicine and biomedical knowledge discovery, translating advanced computational methods into practical healthcare solutions

Dr Reetu Sharma

Digital Health & AI Platforms

MediConsultAI | MedGeroX | GeroMedAI | ChemGraphX | MolSimAI | AI-MolProp Visualizer | PK Insight | DeepToxiLens | AI-Tox Predictor | MolProp Analyzer | MolSketch Analyzer | ClinPKPD | MPDS

MediConsultAI 
RAG-based medical information assistant combining a curated medical knowledge base, vector retrieval, Gemini, LangGraph, and real-time web search to ground health responses in retrieved medical information while extending coverage to current, time-sensitive health topics.

MedGeroX 
AI-driven medical geromedicine platform for computational analysis of aging and longevity, accelerating evidence synthesis and hypothesis generation for age-related health research.

GeroMedAI
AI framework integrating multi-omics data and biomedical knowledge to investigate ageing biology and healthy longevity.

ChemGraphX
Biomedical knowledge graph integrating over 2.8 million drug–target–disease relationships for systems-level biological discovery.

MolSimAI
AI platform for molecular similarity analysis, virtual screening and drug repurposing in early-stage drug discovery.

AI-MolProp Visualizer
Interactive platform for predicting, visualising and interpreting molecular physicochemical and drug-like properties.

PK Insight
Computational platform for analysing pharmacokinetic and pharmacodynamic relationships to support translational research.

DeepToxiLens
Deep learning framework for predicting compound toxicity and identifying potential safety liabilities during drug development.

AI-Tox Predictor
Machine learning platform for early prediction of toxicity profiles using molecular descriptors and biological data.

MolProp Analyzer
Computational tool for rapid analysis of molecular properties relevant to medicinal chemistry and lead optimisation.

MolSketch Analyzer
Interactive application for molecular sketching, property calculation and structural analysis of chemical compounds.

ClinPKPD
AI-enabled platform integrating pharmacokinetic and pharmacodynamic data to support precision medicine and clinical research.

ChemAICluster
AI-based molecular clustering and visual analytics platform for exploring chemical space, identifying structural relationships and prioritising compounds for drug discovery.

MPDS (Molecular Property Diagnostic Suite)
Computational framework for evaluating molecular properties and prioritising compounds for drug discovery applications.

Research Areas

Digital Health | Healthcare AI | Biomedical Data Analytics | Artificial Intelligence & Machine Learning | Biomedical Informatics | Precision Health | Clinical Data Science | Computational Biology

Selective Peer-Reviewed Research Articles

  • Mishra M, Brown E, Singh J, Sharma R* (2024). Impact of Comorbidity on Severity of COVID-19 Patients: A Network of Target Coding Genes Perspective. Research Square (Preprint).

 

  • Sharma R* (2021). Network-based Approach Highlighting Interplay among Antihypertensives, Target-Coding Genes and Diseases. Scientific Reports, 10, 20152.

 

  • Sharma R* (2020). Data Science-Driven Analyses of Drugs Inducing Hypertension as an Adverse Effect. Molecular Diversity.

 

  • Sharma R* (2020). Cluster Analysis to Identify Prominent Patterns of Antihypertensives: A Three-Tiered Unsupervised Learning Approach. Informatics in Medicine Unlocked.

 

  • Sharma R*, Sagurthi SR, Sastry GN (2019). Elucidating the Preference of Protein Oligomerization for Thermal Stability. Journal of Molecular Graphics and Modelling, 96, 107530.

 

  • Gaur AS, Bhardwaj A, Sharma A, John L, Vivek MR, Tripathi N, Bharatam PV, Kumar R, Janardhan S, Mori A, Banerji A, Lynn AM, Hemrom AJ, Passi A, Singh A, Kumar A, Muvva C, Madhuri C, Choudhury C, Kumar DA, Pandit D, Bharti DR, Kumar D, Singam EA, Raghava GPS, Sailaja H, Jangra H, Raithatha K, Tanneeru K, Chaudhary K, Karthikeyan M, Prasanthi M, Kumar N, Yedukondalu N, Rajput NK, Saranya PS, Narang P, Dutta P, Krishnan RV, Sharma R, Srinithi R, Mishra R, Hemasri S, Singh S, Venkatesan S, Kumar S, Jaleel U, Khedkar V, Joshi Y, Sastry GN (2017). Assessing Therapeutic Potential of Molecules: Molecular Property Diagnostic Suite for Tuberculosis (MPDSTB). Journal of Chemical Sciences, 129(5), 515–531

 

  • Sharma R, Saha S, Badrinarayan P, Sastry GN (2014). Modeling Chemical and Biological (Re)activity. Book Chapter in Current Research & Information on Pharmaceutical Sciences.

 

  • Sharma R, Kothapalli R, Dongen AMJV, Swaminathan K (2012). Chemoinformatic Identification of Novel Inhibitors against Mycobacterium tuberculosis L-Aspartate α-Decarboxylase. PLoS ONE, 7, e33521.

 

  • Sharma R, Florea M, Nau W, Swaminathan K (2012). Validation of Drug-like Inhibitors against Mycobacterium tuberculosis L-Aspartate-α-Decarboxylase Using NMR. PLoS ONE, 7(9), e45947.

 

  • Singh NS, Shao N, McLean JR, Sevugan M, Ren L, Chew TG, Bimbo A, Sharma R, Tang X, Gould KL, Balasubramanian MK (2011). SIN-Inhibitory Phosphatase Complex Promotes Cdc11p Dephosphorylation and Propagates SIN Asymmetry in Fission Yeast. Current Biology, 21(23), 1968–1978

Teaching, Mentoring & Professional Education

  • AI for Healthcare and Digital Health
  • Biomedical Data Analytics
  • Artificial Intelligence & Machine Learning
  • Computational Biology and Biomedical Informatics
  • Healthcare AI applications
  • Research methodology and scientific computing
  • Undergraduate and postgraduate teaching
  • Research mentoring and student supervision
  • Professional workshops and technical training

Consulting, Industry & Applied Research

  • AI & Digital Health Solutions: Leads the development of applied AI solutions for healthcare, biomedical research and health data analytics, translating research methods into practical digital applications.
  • Healthcare AI Platforms: Developed and led AI-enabled platforms including MediConsultAI, MedGeroX, GeroMedAI and ClinPKPD, addressing medical information retrieval, healthcare analytics, geromedicine and clinical PK/PD research.
  • Biomedical Data & AI: Applies machine learning, biomedical data analytics, knowledge graphs and multi-source data integration to support evidence synthesis, biological discovery and healthcare research.
  • Research-to-Technology Translation: Converts computational and biomedical research into deployable analytical tools and AI systems, bridging scientific investigation with practical healthcare applications.
  • Industry & Research Collaboration: Experience working across multidisciplinary scientific and technical teams on applied research, computational platforms and data-driven biomedical solutions.
  • Technical Leadership: Provides scientific and technical direction across AI, computational biology and biomedical data projects, including solution design, research strategy and technology development.
  • Professional Engagement: Engages with researchers, technical professionals and stakeholders through scientific presentations, mentoring, workshops and knowledge-sharing activities.

Professional Affiliations

  • American Chemical Society (ACS) — Member
  • Biotech Research Society, India (BRSI) — Life Member
  • National Academy of Biological Sciences (NABS) — Life Member
  • Peer ReviewerComputers in Biology and Medicine, Molecular Diversity, Journal of Chemical Sciences