Senior Principal Cheminformatics Data Scientist

1 month ago

United Kingdom BenevolentAI Group Full time

We are looking for a highly experienced Senior Principal Cheminformatics Data Scientist, with a keen interest in small molecule drug design, to join our Cheminformatics & Computational Chemistry team.

The Cheminformatics & Computational Chemistry team is a high performing cross-functional team that seeks to apply their knowledge to a diverse range of programmes from Target Identification through Hit ID, Hit Expansion and Lead Optimisation. Our role is to aid the advancement of our small molecule Drug Discovery programmes by devising computational solutions to project-specific challenges and applying new and existing technologies to support the needs of our wider portfolio.

As a Senior Principal Cheminformatics Data Scientist you will have a significant leadership role within the team. You will utilise your extensive experience in cheminformatics, data analysis and computational modelling techniques to advance our small molecule drug discovery programmes. You will work closely with medicinal and computational chemists to develop data and modelling pipelines, identify and apply innovative technologies, and employ state of the art computer-aided drug design techniques.

Responsibilities
  • Lead the cheminformatics and computational modelling support for multiple drug discovery projects, working closely with medicinal and computational chemists, and the rest of the project team
  • Work with the team to identify and develop innovative approaches to expand our cheminformatics capabilities, and drive the long-term strategic thinking of the team
  • Apply a wide range of computer-aided drug design techniques to identify and develop small molecules, including virtual screening, reaction and fragment enumeration, de novo design, and chemical library design and sampling
  • Gather, analyse and report on biochemical data from a range of data sources to derive novel insights into SAR and SPR, including the manipulation and analysis of biochemical data at scale
  • Build, evaluate and deliver QSAR models to advance our small molecule Drug Discovery programmes, and to support their use by project teams
  • Develop processes, customisable workflows and computational techniques that can be adapted and applied across the drug discovery portfolio
  • Act as the key domain expert for cheminformatics and the handling of biochemical data, and consult with scientific and engineering teams from across BenevolentAI
  • Collaborate and communicate effectively with members of the Chemoinformatics, Computational Chemistry, Bioinformatics, Drug Discovery, Artificial Intelligence, Engineering and Product teams
  • Line-manage a portion of the team, defining and monitoring their individual goals, in line with company and department objectives, and conduct performance reviews
  • Nurture talent at BenevolentAI by supporting junior members of the team in their working, sharing your experience and providing a mentoring role
We are looking for:

Essential Skills:

  • PhD or equivalent in Chemoinformatics, Computational Chemistry, Molecular Modelling or a closely related field and extensive experience of computer-aided drug discovery in pharma, biotech or academic drug discovery unit
  • Detailed demonstrable knowledge of a wide range of chemoinformatics approaches and their application to live drug discovery projects, and the ability to objectively design scientifically-merited experiments
  • Extensive practical experience of computer-aided drug design, such as compound library design, similarity and substructure searching, virtual screening, reaction enumeration, molecular fragmentation, R-group analysis and combinatorics, multi-parameter optimisation
  • Practical experience in developing, deploying and applying machine learning and QSAR modelling techniques to chemical and biological data, and knowledge of a wide range of chemical featurisers, and a strong understanding of best practices
  • Extensive experience processing chemical and biological data from a range of data sources, e.g. ChEMBL, SureChEMBL, and PubChem
  • Strong and demonstrable programming and technical skills, and familiar with open source and proprietary chemoinformatics libraries e.g. RDKit or other leading industry toolkits
  • Innovator of new ideas and approaches in the chemoinformatics and computational chemistry fields of research, as demonstrated by appropriate papers, presentations, or code contributions to open source projects
  • Excellent communication and leadership skills, especially when working with junior colleagues from a range of technical and scientific backgrounds

Desired Skills:

  • Experience setting up and managing computational infrastructure for cheminformatics and computational chemistry applications
  • Familiarity with deep learning frameworks (e.g. TensorFlow, PyTorch), and state-of-the art ML approaches.
  • Familiarity with 3D ligand- and structural-based modelling techniques, such as docking, pharmacophore modelling, shape similarity screening, molecular dynamics simulations, water-site analysis and/or FEP analysis
  • Familiarity with modern software development paradigms, including containerisation with Docker, GitOps, and cloud computing on AWS with Kubernetes
#J-18808-Ljbffr

  • Senior or Lead Data Scientist

    2 weeks ago

    United Kingdom Hawksworth Full time

    Position: Senior / Lead Data Scientist - People and Tech focused Hybrid - 2 days per month in the office....or more if you'd like :-) Our client are a global insurer who are ramping up their Data Science Practice and on the lookout for new recruits! We're not just looking to tick the 'Tech' box, we want you to have just as strong, if not stronger,...

  • Data Scientist

    1 month ago

    United Kingdom Xcede Full time

    Principal Data Scientist North London, UK (3 days per week in office) Major UK travel giant hiring for a Principal Data Scientist to join their well-established Data Science function, spearheading a range of commercially applicable Machine Learning projects! As a Principal Data Scientist, you will be leading a small team of Data Scientists on a range of ML...

  • Senior Data Scientist

    1 week ago

    United Kingdom Data Science Talent Full time

    Senior Data Scientist - F1 Motorsports Location: The time it takes to service an entire F1 racing car at the pit stop. The data you and your team help to deliver could make or break lap time for one of the world's leading Formula 1 teams. A lap time that over 500 million people will see at the most-watched annual sporting series in the world. ...

  • Senior Data Scientist

    1 week ago

    United Kingdom Data Science Talent Full time

    Senior Data Scientist - F1 Motorsports Location: The time it takes to service an entire F1 racing car at the pit stop. The data you and your team help to deliver could make or break lap time for one of the world's leading Formula 1 teams. A lap time that over 500 million people will see at the most-watched annual sporting series in the world. ...

  • Data Scientist

    1 month ago

    United Kingdom Xcede Full time

    Principal Data Scientist West London, UK (3/4 days per week in office) My Client is a Major UK travel giant hiring for a Principal Data Scientist to join their well-established Data Science function, spearheading a range of commercially applicable Machine Learning projects! As a Principal Data Scientist, you will be leading a small team of Data Scientists...

  • Data Scientist

    5 days ago

    United Kingdom Data Science Talent Full time

    Data Scientist / Senior Data Scientist - F1 Motorsport Location: South East England -----2.62 seconds. The time it takes to service an entire F1 racing car at the pit stop. 2 weeks. How soon you could see the impact of your work translating into visible results for the team on the track. The data you and your team help to deliver could make or break lap...

  • Data Scientist

    5 days ago

    United Kingdom Data Science Talent Full time

    Data Scientist / Senior Data Scientist - F1 Motorsport Location: South East England -----2.62 seconds. The time it takes to service an entire F1 racing car at the pit stop. 2 weeks. How soon you could see the impact of your work translating into visible results for the team on the track. The data you and your team help to deliver could make or break lap...

  • Principal Data Scientist

    1 month ago

    United Kingdom Wyatt Partners Full time

    Wyatt Partners are engaged to find a Principal Data Scientist for one of the most recognisable brands on the planet. This an opportunity to have a tangible impact on the company, and also make your mark in the way the company approaches data science from a standards and infrastructure perspective. It’s a role of paradoxes to some extent in that for such...

  • Principal Data Scientist

    7 days ago

    United Kingdom Wyatt Partners Full time

    Wyatt Partners are engaged to find a Principal Data Scientist for one of the most recognisable brands on the planet. This an opportunity to have a tangible impact on the company, and also make your mark in the way the company approaches data science from a standards and infrastructure perspective. It’s a role of paradoxes to some extent in that for such...

  • Principal Data Scientist

    2 hours ago

    United Kingdom Wyatt Partners Full time

    Wyatt Partners are engaged to find a Principal Data Scientist for one of the most recognisable brands on the planet. This an opportunity to have a tangible impact on the company, and also make your mark in the way the company approaches data science from a standards and infrastructure perspective. It’s a role of paradoxes to some extent in that for...

  • Lead Data Scientist

    1 month ago

    United Kingdom Data Idols Full time

    Lead Data Scientist Data Idols are working with a great company who are on the mission to save households £1000's every year! They are looking for a Lead Data Scientist to lead their existing Data Science team and promote best practices. You will be part of a customer focused, data driven environment where you are encouraged to explore new ideas and...

  • Lead Data Scientist

    1 month ago

    United Kingdom Data Idols Full time

    Lead Data Scientist Data Idols are working with a great company who are on the mission to save households £1000's every year! They are looking for a Lead Data Scientist to lead their existing Data Science team and promote best practices. You will be part of a customer focused, data driven environment where you are encouraged to explore new ideas and...

  • Data Scientist

    4 days ago

    united kingdom Data Science Talent Full time

    Data Scientist / Senior Data Scientist - F1 MotorsportLocation: South East England-----2.62 seconds. The time it takes to service an entire F1 racing car at the pit stop.2 weeks. How soon you could see the impact of your work translating into visible results for the team on the track.The data you and your team help to deliver could make or break lap time for...

  • Principal Scientist

    7 days ago

    United Kingdom Kromek Group plc Full time

    We are seeking a highly skilled and experienced Principal Scientist to lead our research and development efforts in Biotechnology. The Principal Scientist will be responsible for designing and executing research projects, analysing data, and providing scientific expertise and leadership to the research team We are seeking a highly skilled and experienced...

  • Principal Scientist

    1 month ago

    United Kingdom Kromek Group plc Full time

    We are seeking a highly skilled and experienced Principal Scientist to lead our research and development efforts in Biotechnology. The Principal Scientist will be responsible for designing and executing research projects, analysing data, and providing scientific expertise and leadership to the research team We are seeking a highly skilled and experienced...

  • Principal Scientist

    4 hours ago

    United Kingdom Kromek Group plc Full time

    We are seeking a highly skilled and experienced Principal Scientist to lead our research and development efforts in Biotechnology. The Principal Scientist will be responsible for designing and executing research projects, analysing data, and providing scientific expertise and leadership to the research team We are seeking a highly skilled and experienced...

  • Data Scientist

    1 month ago

    United Kingdom Open Data Science Conferenc Full time

    This role sits at the heart of the Machine Learning and Optimisation team. The team currently specialises in exploring newest available technologies (such as R, Python, Machine Learning and AI) to deliver projects for a diverse range of stakeholders within HMRC. The team also works alongside the Data Science Academy to deliver specialised training in...

  • Senior Data Scientist

    7 days ago

    United Kingdom Data Science Talent Full time

    Senior Data Scientist / Data Scientist - F1 Motorsport Location: South East England -----2.62 seconds. The time it takes to service an entire F1 racing car at the pit stop. 2 weeks. How soon you could see the impact of your work translating into visible results for the team on the track. The data you and your team help to deliver could make or break lap...

  • Senior Data Scientist

    1 week ago

    United Kingdom Data Science Talent Full time

    Senior Data Scientist / Data Scientist - F1 Motorsport Location: South East England -----2.62 seconds. The time it takes to service an entire F1 racing car at the pit stop. 2 weeks. How soon you could see the impact of your work translating into visible results for the team on the track. The data you and your team help to deliver could make or break lap...

  • Research Data Scientist

    1 month ago

    United Kingdom Open Data Science Conferenc Full time

    We are a seed-funded startup focused on using state-of-the-art AI technologies to revolutionize the legal industry. Our team consists of experts in machine learning who have worked at top-tier US tech companies and law firms, and we are passionate about using AI to improve access to justice and legal services. We are looking for a Data Scientist with the...