A. Samal

Leveraging integrative toxicogenomic approach towards development of stressor-centric adverse outcome pathway networks for plastic additives

This study constructs a stressor-centric adverse outcome pathway network for plastic additives using toxicogenomic data, identifying 1287 additive-AOP associations and demonstrating their utility for risk assessment.

An integrative data-centric approach to derivation and characterization of an adverse outcome pathway network for cadmium-induced toxicity

This study constructs the first adverse outcome pathway network for inorganic cadmium toxicity by integrating data from multiple sources and analyzing key events and relationships.

Cheminformatics analysis of multi-target structure-activity landscape of environmental chemicals binding to human endocrine receptors

This study analyzes the structure-activity landscape of environmental chemicals binding to multiple human endocrine receptors to improve toxicity prediction models.

Machine learning models for prediction of xenobiotic chemicals with high propensity to transfer into human milk

This study develops machine learning models to predict xenobiotic chemicals likely to transfer into human milk using a curated dataset of 375 chemicals and evaluates their performance on internal and external test data.

Analysis of structure-activity and structure-mechanism relationships among thyroid stimulating hormone receptor binding chemicals by leveraging ToxCast library

The paper analyzes structure-activity and structure-mechanism relationships of TSHR-binding chemicals using ToxCast data to improve predictive toxicity models.

Identification of activity cliffs in structure-activity landscape of androgen receptor binding chemicals

The paper identifies activity cliffs in the structure-activity landscape of androgen receptor binding chemicals, revealing heterogeneity and improving predictive toxicity models.

Scaffold and structural diversity of the secondary metabolite space of medicinal fungi

This study analyzes the scaffold and structural diversity of secondary metabolites from medicinal fungi and compares them to approved drugs and other libraries, finding high diversity and minimal overlap with existing drugs.

IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants

IMPPAT 2.0 is a comprehensive phytochemical atlas of Indian medicinal plants, providing curated data on 4010 plants, 17967 phytochemicals, and traditional formulations.

Investigation of a derived adverse outcome pathway (AOP) network for endocrine-mediated perturbations

The paper constructs an endocrine-specific AOP network to analyze systems-level perturbations from endocrine disruption and identifies key events in the network.

NeurotoxKb: compilation, curation and exploration of a knowledgebase of environmental neurotoxicants specific to mammals

NeurotoxKb compiles and curates 475 mammalian-specific neurotoxicants from 835 studies, providing chemical, environmental, and toxicological data, and explores their exposure through global regulations and biospecimens.

ExHuMId: A curated resource and analysis of Exposome of Human Milk across India

ExHuMId compiles data on 101 environmental contaminants in human milk from 13 Indian states and analyzes their health impacts using systems biology.

An exploratory analysis of the current chemical regulations and guidelines from the perspective of endocrine disrupting chemicals using public resources

This paper analyzes endocrine disrupting chemicals (EDCs) by curating a knowledgebase and comparing EDCs with chemical regulations and high production volume chemicals, highlighting gaps between academic research and regulatory practices.