40 Qsar Jobs

We are seeking a Computational Medicinal Chemist to support drug discovery programs. The candidate will focus on in silico design, optimization, and evaluation of small molecules, integrating insights from structural biology and bioinformatics to accelerate lead identification and optimization. Key Responsibilities: Apply RDKit for cheminformatics and use ADMET prediction tools to guide compound selection. Analyze SAR (structure-activity relationships) and prioritize compounds using QSAR/QSPR modeling. Design and optimize small molecules using computational approaches. Collaborate with structural biologists and bioinformaticians to interpret protein-ligand interactions. Develop and maintain ...

Background Unilever’s Personal Care Science & Technology (S&T) team develops future fit technologies that enable superior, benefit led products. The Physical Sciences platform combines deep expertise in chemistry, emulsions, materials, surface and colloid science, and process engineering with advanced data science, AI/ML, and modelling techniques to translate cutting edge science into scalable product solutions. Our models and tools support ingredient selection, formulation optimisation, and claim substantiation, and are delivered as governed, self service assets for scientists and partners across S&T. Research outputs typically include next generation product technologies scaled to at least...

Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cuttin...

Background Unilever’s Personal Care Science & Technology (S&T) team develops future fit technologies that enable superior, benefit led products. The Physical Sciences platform combines deep expertise in chemistry, emulsions, materials, surface and colloid science, and process engineering with advanced data science, AI/ML, and modelling techniques to translate cutting edge science into scalable product solutions. Our models and tools support ingredient selection, formulation optimisation, and claim substantiation, and are delivered as governed, self service assets for scientists and partners across S&T. Research outputs typically include next generation product technologies scaled to at least...

Role Overview: You are invited to join Biotecnika Info Labs Pvt Ltd as an AI ML in Drug Discovery / Cheminformatics Trainer & Scientist. This hybrid role involves hands-on training, curriculum design, and research in the domain of Artificial Intelligence, Machine Learning, and Computational Chemistry applied to Drug Discovery. As part of this role, you will be responsible for delivering training sessions, developing industry-aligned training modules, engaging in research, and providing mentorship to project trainees. Key Responsibilities: - Deliver interactive and practical training sessions on AI ML applications in cheminformatics and drug discovery. - Mentor students on live research proje...

Background: Unilever's Personal Care Science & Technology (S&T) team develops future fit technologies that enable superior, benefit led products. The Physical Sciences platform combines deep expertise in chemistry, emulsions, materials, surface and colloid science, and process engineering with advanced data science, AI/ML, and modelling techniques to translate cutting edge science into scalable product solutions. Our models and tools support ingredient selection, formulation optimisation, and claim substantiation, and are delivered as governed, self service assets for scientists and partners across S&T. Research outputs typically include next generation product technologies scaled to at leas...

Location: Pune, Maharashtra Reports To: General Manager Company Overview: Auxilife is a leading agrochemical research and regulatory solutions provider, focused on developing innovative crop protection products while ensuring compliance with regulatory requirements globally. Position Summary: The Assistant Manager – Regulatory & Toxicology will support regulatory submissions and toxicological evaluations for crop protection products. This role involves coordination with teams, external CROs, clients and regulatory authorities for regulatory strategy and registration. Key Responsibilities:  Regulatory Affairs: Prepare, compile, and submit regulatory dossiers (e.g., CIBRC, CDSCO, EU, etc.) fo...

Key Responsibilities Design and implement computational workflows for chemical, biological, and multi-omics data analysis. Apply cheminformatics techniques (virtual screening, molecular docking, QSAR, ADMET modeling) to support lead identification and optimization. Analyze next-generation sequencing (NGS), RNA-seq, proteomics, and single-cell datasets to identify biomarkers, pathways, and novel targets. Integrate chemical libraries with biological and clinical datasets for cross-domain insights. Understanding of protein-protein interaction, ADC and PDC development. Develop and apply machine learning/AI models for predictive drug discovery and biomarker discovery. Collaborate closely with med...

Key Responsibilities JOB DESCRIPTION Design and implement computational workflows for chemical, biological, and multi-omics data analysis. Apply cheminformatics techniques (virtual screening, molecular docking, QSAR, ADMET modeling) to support lead identification and optimization. Analyze next-generation sequencing (NGS), RNA-seq, proteomics, and single-cell datasets to identify biomarkers, pathways, and novel targets. Integrate chemical libraries with biological and clinical datasets for cross-domain insights. Understanding of protein-protein interaction, ADC and PDC development. Develop and apply machine learning/AI models for predictive drug discovery and biomarker discovery. Collaborate ...

Toxicological risk assessment of impurities and excipients in pharmaceutical products Evaluation of structure-activity relationship of chemicals, including QSAR to identify the health hazards of unstudied compounds. Identification of structural analogues and developing rationale to support read-across evaluation Developing safety rationale for setting impurity specifications for pharmaceutical products Explore publicly available literature to support developing safety rationale for unstudied chemicals Environmental risk assessment of pharmaceuticals Health hazard assessment/health risk assessment to address product quality issues and to support product recall decisions Permitted daily exposu...

Toxicological risk assessment of impurities and excipients in pharmaceutical products Evaluation of structure-activity relationship of chemicals, including QSAR to identify the health hazards of unstudied compounds. Identification of structural analogues and developing rationale to support read-across evaluation Developing safety rationale for setting impurity specifications for pharmaceutical products Explore publicly available literature to support developing safety rationale for unstudied chemicals Environmental risk assessment of pharmaceuticals Health hazard assessment/health risk assessment to address product quality issues and to support product recall decisions Permitted daily exposu...

What You'll Do The candidate in this position is responsible to - Drive and execute New Product Design and Development, VAVE, B&P, and Sustaining Engineering through Eaton PROLaunch / PreLaunch / ACES Engineering processes and CI mindset Create Product Concepts & Architecture ideas and demonstrate, expertise at STEM - Science Technology Engineering Mathematics basics for demonstrating the feasibility of designs through relevant Engineering calculations/predictions Has proficiency with CAD, Analytical Tools (CATIA, CREO, AutoCAD, MathCAD, Matlab/Simulink, CfX, ADL, etc.), Limits, Fits & Tolerancing, GD&T Apply basics of DfX - DFSS, DFMA, DfR, and DFE. Apply Robust design methodologies/tools f...

Job Summary We are looking for a dynamic and experienced Scientist to join our Pre-clinical team. This role supports the cross functional teams in product introduction, nonclinical development of generics, complex generics and differentiated products from strategy and development to product approval, across all verticals and global markets. Roles & Responsibilities You will be responsible for Preparation of Toxicological Risk Assessments, Permissible Daily Exposure and Occupational Exposure Limit monographs Tox risk assessments for excipients, impurities, extractable, leachables. You will be responding to queries regarding toxicological hazards from various cross functional teams and support...

Dr. Reddy’s Laboratories Ltd. is a leading multinational pharmaceutical company based across global locations. Each of our 24,000 plus employees comes to work every day for one collective purpose: to accelerate access to affordable and innovative medicines because Good Health Can’t Wait . We started in 1984 with a modest investment, 20 employees and a bold vision. Today, we have research and development centres, manufacturing facilities or a commercial presence in 66 countries. For nearly four decades, we have stood for access, affordability and innovation based on the bedrock of deep science, progressive people practices and robust corporate governance. As the pharmaceutical industry evolve...

Position Overview We are seeking a highly skilled and motivated Team Leader with expertise in AI-driven drug discovery, deep learning, and computational chemistry to lead a cross-disciplinary research team. The successful candidate will guide the design, development, and application of advanced AI/ML models for accelerating drug discovery, molecular design, and therapeutic development. This role requires both technical leadership and strategic vision to drive innovation in pharmaceutical R&D. Key Responsibilities · Leadership & Strategy o Lead, mentor, and grow a team of AI scientists, computational chemists, and data engineers. o Define research strategy and align project milestones with or...

Position Overview We are seeking a highly skilled and motivated Team Leader with expertise in AI-driven drug discovery, deep learning, and computational chemistry to lead a cross-disciplinary research team. The successful candidate will guide the design, development, and application of advanced AI/ML models for accelerating drug discovery, molecular design, and therapeutic development. This role requires both technical leadership and strategic vision to drive innovation in pharmaceutical R&D. --- Key Responsibilities · Leadership & Strategy o Lead, mentor, and grow a team of AI scientists, computational chemists, and data engineers. o Define research strategy and align project milestones wit...

Ashland India Private Ltd Are you the kind of person that is always thinking, sketching, seeking, and adjusting Who needs to understand how things work and then figure out how they can work better Are you a passionate, tenacious, solver who loves to work with others who share your drive Are you positive, constructive, and ingenious Are you always solving Then wed like to meet you and bet youd like to meet us. Ashland has an exciting opportunity for a REACH Toxicologist to join our Ashland Ingredients business at our Mumbai, India office. This is a very visible, significant role within the Company and the R&D function. This position will report to Sr. Manager Regulatory Affairs EMEA. The resp...

What You’ll Do The candidate in this position is responsible to - Drive and execute New Product Design and Development, VAVE, B&P, and Sustaining Engineering through Eaton PROLaunch / PreLaunch / ACES Engineering processes and CI mindset Create Product Concepts & Architecture ideas and demonstrate, expertise at STEM - Science Technology Engineering Mathematics basics for demonstrating the feasibility of designs through relevant Engineering calculations/predictions Has proficiency with CAD, Analytical Tools (CATIA, CREO, AutoCAD, MathCAD, Matlab/Simulink, CfX, ADL, etc.), Limits, Fits & Tolerancing, GD&T Apply basics of DfX - DFSS, DFMA, DfR, and DFE. Apply Robust design methodologies/tools f...

Job Title: Computational Chemist Function: Science & Technology Reports to: Research Scientist Scope: PC Location: Unilever R&D Bangalore About Unilever Established over 100 years ago, we are one of the world’s largest consumer goods companies. We are known for our great brands and our belief that doing business the right way drives superior performance. We believe that the winning businesses of tomorrow will be those which anticipate and respond to the huge changes shaping people’s lives across the world. We are more certain than ever that it is the right time to focus our sustainability efforts on the four key priorities where we are best placed to drive impact: climate , nature , plastics...

Ashland India Private Ltd Are you the kind of person that is always thinking, sketching, seeking, and adjusting? Who needs to understand how things work and then figure out how they can work better? Are you a passionate, tenacious, solver who loves to work with others who share your drive? Are you positive, constructive, and ingenious? Are you always solving? Then we’d like to meet you and bet you’d like to meet us. Ashland has an exciting opportunity for a REACH Toxicologist to join our Ashland Ingredients business at our Mumbai, India office. This is a very visible, significant role within the Company and the R&D function. This position will report to Sr. Manager Regulatory Affairs EMEA. T...

Job Title: Computational Chemist Function: Science & Technology Reports to: Research Scientist Scope: PC Location: Unilever R&D Bangalore About Unilever Established over 100 years ago, we are one of the world’s largest consumer goods companies. We are known for our great brands and our belief that doing business the right way drives superior performance. We believe that the winning businesses of tomorrow will be those which anticipate and respond to the huge changes shaping people’s lives across the world. We are more certain than ever that it is the right time to focus our sustainability efforts on the four key priorities where we are best placed to drive impact: climate , nature , plastics...

Job Title: Assistant Professor – Pharmaceutical Chemistry Job Location: Ahalia School of Pharmacy, Palakkad, Kerala Job Purpose: To provide high-quality teaching in Pharmaceutical Chemistry, mentor students, and contribute to research and academic development of the Department, while supporting institutional goals in education, research, and community service. Key Responsibilities:Teaching & Academic Duties Deliver lectures, tutorials, and laboratory sessions in Pharmaceutical/Medicinal Chemistry, Organic Chemistry, Biochemistry, and related subjects at UG and PG levels. Prepare lesson plans, practical manuals, and course content aligned with PCI/UGC norms and outcome-based education (OBE). ...

Job Description: We are looking for an experienced Data Science Specialist with a strong background in Cheminformatics and hands-on experience in designing and developing AI models. The ideal candidate will have a solid understanding of data science principles and domain-specific knowledge in cheminformatics , particularly in CADD and AIDD Responsibilities: - Design and develop AI models with a strong understanding of non-functional requirements. - Implement robust and scalable AI solutions in the following areas: Model Development: Develop and fine-tune generative AI models for various applications, ensuring efficiency and high-quality outputs. Data Processing: Design and manage data pipeli...

Date: 30 Aug 2025 Location: Bangalore, KA, IN, 560099 Custom Field 1: Discovery Services Job Description Designation: Computational Chemist (Senior Research Associate) (Level 9) Job Location: Bangalore Department: Computational & Data Sciences About Syngene Incorporated in 1993, Syngene International Ltd. is an innovation-focused global discovery, development, and manufacturing organization providing integrated scientific services to the pharmaceutical, biotechnology, nutrition, animal health, consumer goods, and specialty chemical industries worldwide. Syngene’s clientele includes world leaders such as Bristol-Myers Squibb, Baxter, Amgen, GSK, Merck KGaA, and Herbalife. Its innovative cultu...

Job Description: Toxicologist / Preclinical Scientist We are seeking a skilled Toxicologist / Preclinical Scientist to join our team. The ideal candidate will be accountable for conducting toxicological risk assessments and overseeing preclinical experimental research. 1. Key Responsibilities: Toxicological Risk Assessments • Derive Health-based Exposure Limits & support occupational hazard assessment (PDE/OEL) for pharmaceutical molecules in adherence to regulatory standards. • Conduct Toxicological Risk Assessments (TRA) for pharmaceuticals, excipients, intermediates, chemicals, cleaning agents, residual solvents, elemental impurities, and degradation products. • Perform Genotoxicity Hazar...