92 Cheminformatics Jobs

Role Overview: Join Aganitha in contributing to the discovery of medicines that will impact lives. Aganitha accelerates drug discovery and development for Biopharma and Biotech R&D using in silico solutions that leverage Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps. The team at Aganitha, driven by innovation and research, is focused on bridging multiple disciplines to bring medicines faster for human use. Key Responsibilities: - Work with R&D teams of Biopharma clients and collaborate with a diverse team to create innovative computational chemistry solutions for target discovery and validation. - Identify areas for AI application in Chemis...

A Day in Your Life at MKS: As an Application Developer, Data Analytics at MKS MSD, you will collaborate closely with the Data Analytics team to support ELN, Spotfire, and related initiatives. Reporting to the Data Analytics Team Manager, you will apply various methods and strategies to assist multiple departments across the organization. This role involves working alongside your immediate team, the team manager, R&D manager, and other cross-functional groups. Open, clear communication with both the team and R&D managers is essential. You’ll be encouraged to take initiative, propose your own ideas, and develop effective approaches to successfully carry out your responsibilities. You Will Make...

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...

Job overview and responsibility - Design and maintain end‑to‑end data pipelines to ingest, clean, augment, and version large‑scale molecular and phenotypic datasets. - Automate high‑throughput docking simulations; extract, featurize, and curate docking poses and affinity scores for downstream modeling. - Research, prototype, and productionize graph neural network and transformer‑based models for molecular property prediction, lead optimization, and virtual screening. - Develop and integrate semi‑supervised learning and active‑learning workflows to maximize insight from limited experimental labels. - Establish evaluation frameworks and benchmarks; analyze performance metrics (e.g., ROC‑AUC, e...

Date: 27 Oct 2025 Location: Bangalore, KA, IN, 560099 Division: Discovery Services Job Description Designation: Computational Chemist 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 culture is driven by the passion of its 4240-strong t...

Business Context and main purpose of the job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as MultiOmics, Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough Differentiated & Superior Technologies to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Appe...

Business Context and main purpose of the job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as MultiOmics, Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough “Differentiated & Superior Technologies” to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Ap...

Job Summary We are seeking a highly skilled Team Lead with 7 to 11 years of experience to join our dynamic team. The ideal candidate will possess expertise in UC4 and have a strong background in Cheminformatics and Bioinformatics. This hybrid role offers the opportunity to work in a day shift providing a perfect balance between work and personal life. The candidate will play a crucial role in driving projects that impact our companys growth and contribute to advancements in the scientific community. Responsibilities Lead a team of professionals in delivering high-quality solutions in Cheminformatics and Bioinformatics. Oversee the implementation and optimization of UC4 processes to enhance o...

Job Summary We are seeking a skilled Demand Role Analyst with 3 to 4 years of experience in SFMC Advanced SFMC Core Configuration SFMC Core Customization SFMC Advance Cross Channel and Marketing Cloud. The ideal candidate will work in a hybrid model during day shifts focusing on optimizing marketing strategies and enhancing customer engagement. Experience in Cheminformatics is a plus. Responsibilities Analyze and interpret data to develop effective marketing strategies using SFMC Advanced tools. Oversee the configuration and customization of SFMC Core to meet business needs. Collaborate with cross-functional teams to implement SFMC Advance Cross Channel solutions. Provide insights and recomm...

Job Summary We are seeking a skilled Demand Role Analyst with 3 to 4 years of experience in SFMC Advanced SFMC Core Configuration SFMC Core Customization SFMC Advance Cross Channel and Marketing Cloud. The ideal candidate will work in a hybrid model during day shifts focusing on optimizing marketing strategies and enhancing customer engagement. Experience in Cheminformatics is a plus. Responsibilities Analyze and interpret data to develop effective marketing strategies using SFMC Advanced tools. Oversee the configuration and customization of SFMC Core to meet business needs. Collaborate with cross-functional teams to implement SFMC Advance Cross Channel solutions. Provide insights and recomm...

You are a skilled Test Analyst with 5 to 7 years of experience, joining a team in a hybrid work model. Your expertise lies in automated and manual testing, data migration, and AWS IoT. Additionally, experience in data models, cheminformatics, R&D, and preclinical & clinical domains is beneficial. Your role involves ensuring software quality and reliability, contributing to impactful projects that advance the company's mission. Your key responsibilities will include: - Conducting comprehensive automated testing to ensure software quality and reliability. - Performing manual testing to identify and resolve defects in software applications. - Overseeing data migration processes to ensure seamle...

As a Junior Application Scientist at Advent Informatics Pvt Ltd, you will play a crucial role in providing technical support and making product presentations to customers interested in our software offerings. Your responsibilities will include: - Online/onsite presentation (and demonstration) of our CADD/Molecular Modelling/Cheminformatics/Scientific Data Management software suite. - Providing technical and scientific support to both existing and prospective clients. - Publishing scientific papers and participating in conferences and seminars. - Training clients on the software to ensure they derive the best value. - Supporting installation and troubleshooting for clients and evaluators. - D...

💼 Job Title: Subject Matter Expert / Cheminformatics specialists 💻Job Type: Full-time 📍Location: India 💼 Work regime: 100% Remote 🔥 Keywords: ChemDraw, Chemdoodle, Cheminformatics, EH&S, and chemistry. Job Summary: We are looking for a Subject Matter Expert in Cheminformatics / EH&S to manage and maintain chemical and regulatory data libraries. This role involves ensuring compliance with international safety standards, managing hazardous materials data, and supporting EH&S operations with accurate, well-organized chemical information. Key Responsibilities: Manage and update chemical and EH&S data libraries to maintain accuracy and regulatory compliance. Validate, organize, and maintain chemi...

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 ...

Job Summary The Senior BD Manager will play a pivotal role in driving business growth by leveraging expertise in Business Scorecard and Cheminformatics. This hybrid role requires a strategic thinker with 8 to 12 years of experience to develop and implement business strategies that align with company goals. The candidate will work closely with cross-functional teams to enhance business performance and achieve measurable outcomes. Responsibilities Develop and implement strategic business plans to drive growth and achieve company objectives. Collaborate with cross-functional teams to identify and capitalize on new business opportunities. Utilize Business Scorecard techniques to measure and impr...

Job Summary The Senior BD Manager will play a pivotal role in driving business growth by leveraging expertise in Business Scorecard and Cheminformatics. This hybrid role requires a strategic thinker with 8 to 12 years of experience to develop and implement business strategies that align with company goals. The candidate will work closely with cross-functional teams to enhance business performance and achieve measurable outcomes. Responsibilities Develop and implement strategic business plans to drive growth and achieve company objectives. Collaborate with cross-functional teams to identify and capitalize on new business opportunities. Utilize Business Scorecard techniques to measure and impr...

Business Context and main purpose of the job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as MultiOmics, Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough Differentiated & Superior Technologies to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Appe...

Business Context and main purpose of the job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as MultiOmics, Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough “Differentiated & Superior Technologies” to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Ap...

Business Context and main purpose of the job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as MultiOmics, Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough “Differentiated & Superior Technologies” to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Ap...

Advent Informatics Pvt Ltd, distributor of Computational Drug Discovery software solutions and services in India, is looking for talented and motivated candidates to join the team as a Junior Application Scientist. As a Junior Application Scientist, you will be focused on providing technical support and make product presentations to our customers showing interest in our product offerings. Responsibilities Online/onsite presentation (and demonstration) of our CADD/Molecular Modelling/Cheminformatics/ Scientific Data Management software suite. Provide technical and scientific support to our existing and prospective clients. Publish scientific papers and participate in conferences and seminars....

Job Summary We are seeking a highly skilled Team Lead with 7 to 11 years of experience to join our dynamic team. The ideal candidate will possess expertise in UC4 and have a strong background in Cheminformatics and Bioinformatics. This hybrid role offers the opportunity to work in a day shift providing a perfect balance between work and personal life. The candidate will play a crucial role in driving projects that impact our companys growth and contribute to advancements in the scientific community. Responsibilities Lead a team of professionals in delivering high-quality solutions in Cheminformatics and Bioinformatics. Oversee the implementation and optimization of UC4 processes to enhance o...

Job Title: Chemistry - AI Trainer Location: Remote Job Summary: Join our customer's team as a Chemistry - AI Trainer and play a pivotal role in shaping the next generation of AI-driven chemistry solutions. In this full-time, remote position, you will leverage your chemistry expertise to enhance and train AI models, ensuring precise and contextually accurate chemical knowledge. If you are passionate about science and technology, this is your chance to make a direct impact in a rapidly evolving field. Key Responsibilities: Collaborate with AI engineers and data scientists to develop and refine chemistry-related AI models. Analyze and curate chemistry datasets to enhance AI training quality and...

Role Overview: You will be joining Molecular Connections as a Senior Scientist in Chemical Data Intelligence with a focus on shaping the next-generation chemistry knowledge platform. Your role will involve leading data interpretation, developing curation protocols, and collaborating with cross-functional teams to enhance the scientific accuracy, depth, and connectivity of the database. Key Responsibilities: - Lead and review complex data extraction and curation of reactions, substances, and bioactivity data. - Design and optimize data models, taxonomies, and ontologies for chemical and experimental data. - Mentor junior scientists and oversee quality assurance of curated datasets. - Drive im...

Role Overview: At Molecular Connections, we are seeking enthusiastic chemistry graduates to join our scientific data team as Scientific Analysts. You will be responsible for transforming experimental data from scientific literature and patents into structured, searchable knowledge for our chemistry intelligence platform. This role is ideal for individuals passionate about connecting chemistry with data, technology, and research discovery. Key Responsibilities: - Extract, interpret, and curate chemical reactions, substances, and property data from journals and patents. - Annotate and validate data using internal curation tools and chemical information systems. - Ensure accuracy, consistency, ...

Dear Aspirant, TCS Hiring- Scientist for R&D in emulation/data science Location : Mumbai/ Kolkata/ Pune/Chennai Experience : 10 years overall experience, spread across a combination of manufacturing industry, consulting, information & technology services. Minimum of 5 years in IT/ Consulting Technical Skill: Modeling using molecular dynamics (MD) simulation tools such as GROMACS/Amber/OpenMD etc.; Familiarity with basic computational chemistry for organic and inorganic compounds, polymers, organometallic molecules; Understanding of ML tools as applicable to chemistry R&D including cheminformatic tools such as RDKit, MDG etc. Must have Skill : Technical Ability to work with opensource models ...