Data Scientist – Cheminformatics Carmarthen

Data Scientist – Cheminformatics

Data Scientists specializing in Cheminformatics apply advanced statistical and machine learning models to chemical data to support drug discovery, compound optimization, and virtual screening efforts. They work closely with medicinal chemists and computational biologists to predict properties and behaviors of small molecules.

Responsibilities include:

• Developing predictive models – QSAR, molecular docking, physicochemical property prediction, and ADMET modeling.

• Managing large compound libraries – Using cheminformatics tools like RDKit, Open Babel, or KNIME for structure handling and descriptor generation.

• Visualizing and analyzing SAR data – Supporting lead optimization through clustering, PCA, or similarity analyses.

• Contributing to compound prioritization strategies – Helping R&D teams focus efforts on the most promising drug candidates using data-driven scoring systems.

• Maintaining clean, structured data environments – Using SQL, Python, and cloud-based data warehousing to handle high-volume structure–activity datasets.

Ideal candidates bring a strong background in chemistry or computational biology, paired with Python or R expertise, and familiarity with chemical notations like SMILES, InChI, and SDF formats.​

Lying on the river Tywi, Carmarthen is the county town of Carmarthenshire in Wales and is located approximately 30 miles from Swansea and 70 miles from Cardiff.  The town was founded by the Romans and 1000 years later Carmarthen Castle, built by the Normans, became their regional capital.  In the 19th century the development of the coal mining industry meant that growth moved away from Carmarthen to other areas in South Wales.  The main industries in Carmarthen today are agriculture, fishing, forestry and tourism.  The town is within easy reach of the Brecon Beacons National Park and the beautiful Pembrokeshire coast as well as many other visitor attractions including the Dylan Thomas Boathouse in Laugharne, Kidwelly Castle, the National Wool Museum and the Dolaucothi Gold Mines.

Famous people from Carmarthen:

Rhod Gilbert, Comedian and Philip Vaughan, inventor of the ball bearing.

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Carmarthen is a great place to further your career in life sciences. If you are a looking for pharmaceutical jobs in Carmarthen, scientific careers in Carmarthen or want to discuss cell therapy, gene therapy, ATMP, medical device, technology, biotech or pharmaceutical job opportunities inCarmarthen, give our Next Phase team a call. The Welsh area is continuing to expand as a centre for jobs in science, process development, technology, software development, project management, informatics, quality, reg affairs and supply chain.

At Next Phase we help people find new jobs in life sciences across the UK, Europe and USA. This page lists some of the job opportunities in Carmarthen, and if you give us a call we can also talk to you about other scientific jobs, pharmaceutical career opportunities and the latest updates in cell and gene therapy and ATMP development in the Welsh area.