Lead Cheminformatics Machine Learning Data Scientist

4 weeks ago

London, United Kingdom BenevolentAI Full time

We are looking for a highly experienced Lead Cheminformatics Data Scientist, who specialises in AI/ML with a keen interest in small molecule drug design, to lead our Cheminformatics team within 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 and find new AI/ML- driven solutions, working closely with medicinal and computational chemists, and the rest of the project teamWork 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, ChEMBL, SureChEMBL, and PubChem Strong and demonstrable programming and technical skills, and familiar with open source and proprietary chemoinformatics libraries 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 ( 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

  • Lead Cheminformatics Machine Learning Data Scientist

    4 weeks ago

    London, United Kingdom BenevolentAI Full time

    We are looking for a highly experienced Lead Cheminformatics Data Scientist, who specialises in AI/ML with a keen interest in small molecule drug design, to lead our Cheminformatics team within our Cheminformatics & Computational Chemistry team. The Cheminformatics & Computational Chemistry team is a high performing cross-functional team that seeks to apply...

  • Lead Data Scientist

    4 weeks ago

    London, United Kingdom Harnham - Data & Analytics Recruitment Full time

    Lead Data Scientist London £90,000 - £100,000 This is a great next step for a Data Science expert to join an established company targeting online safety! THE COMPANY This well-known company have set up a new area in online safety and they are investing significantly in their Data presence; their Data team has grown from 4 people in 2021 to 50 people and...

  • Research Scientist

    4 weeks ago

    London, United Kingdom Recooty Full time

    Research Scientist (Drug discovery and machine learning) Finsbury Park, London, United Kingdom 21 Mar 2021 Location : London (Flexible) Salary : competitive  Position type : full-time  Start date: immediate  Candidates welcomed: all genders, nationalities, backgrounds and orientations   Rahko is a quantum machine learning company focusing on...

  • Machine Learning Data Scientist

    2 weeks ago

    London, United Kingdom Vertus Partners Full time

    Data Scientist - Cross Asset - Quant Trading Firm A leading Quant Trading firm are looking to hire a Data Scientist within their Cross Asset Data Quant team. You'd be collaborating directly with Quant Researchers and Data Engineering teams, working directly with Machine Learning and Statistical Methods to evaluate new datasets. Your remit will also...

  • Lead Data Scientist

    4 weeks ago

    London, United Kingdom Harnham Full time

    Lead Data Scientist London £90,000 + benefits THE COMPANY This unicorn ecommerce company, in the fashion space, is growing exponentially and in need of a new lead for their data science team. Well established and worth £billions, they're currently investing heavily in Data science, with the aim of more effectivelyacquiring and retaining customers through...

  • Data Scientist

    2 weeks ago

    London, United Kingdom Shell Full time

    The Principal Data Scientist will be part of the Trading & Supply Capability Centre team/IT Digital Engineering VPship. The Principal Data Scientist will be responsible for initiating, development and deployment of data science solutions/products in an agile fashion to the Assets. The Principal Data Scientist will be part of the Trading & Supply Capability...

  • Lead Data Scientist

    4 weeks ago

    London, United Kingdom Harnham Full time

    Lead Data Scientist FinTech £90,000 - £100,000 This is an exciting opportunity for an expert Data Scientist to join a start-up FinTech business! THE COMPANY This successful FinTech company are continuously growing and they are specifically looking to expand their Data function. They are looking for a Data Scientist at any level of seniority to join the...

  • Machine Learning Scientist

    4 weeks ago

    London, United Kingdom Understanding Recruitment Full time

    Job Description Machine Learning Scientist Are you a Data Scientist and/or a Machine Learning Scientist with a PhD in CS/Maths or big tech experience? We need you to join our team of innovators! Responsibilities: Develop cutting-edge transformer-based models Collaborate with cross-functional teams Optimize model performance through experimentation ...

  • Research Data Scientist

    4 weeks ago

    London, United Kingdom NLP PEOPLE Full time

    Elsevier is in the midst of a TRANSFORMATION and TECHNOLOGY is simultaneously at the FOREFRONT and the DRIVING FORCE. Our innovative technology platforms and smart content solutions operate at the cutting edge of big data, semantic web and cloud technology, enabling faster more effective critical decision-making daily across the globe. Mendeley is changing...

  • Molecular Data Scientist

    3 weeks ago

    London, United Kingdom Novo Nordisk AS Full time

    The Position We are searching for a talented Molecular Modelling and/or Data Scientist with strong interest in protein design and machine learning techniques. Your main role will involve enhancing our internal Modelling/AI workflow for data-driven compound design, including the integration of novel ML technologies for protein structure predictions,...

  • Molecular Data Scientist

    3 weeks ago

    London, United Kingdom Novo Nordisk Full time

    The position requires close collaboration with other research scientists in multidisciplinary project teams as well as our data science and machine learning colleagues across the global sites of the Digital Science & Innovation area. Your key responsibilities will entail to: Develop predictive models for biologics design as well as SAR analysis and...

  • Lead Data Scientist

    3 weeks ago

    London, United Kingdom Data Science Festival 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 get...

  • Student Placement Machine Learning Scientist

    4 weeks ago

    London, United Kingdom Isomorphic Labs Limited Full time

    Research Scientist, Quantum Chemistry and Machine Learning, London Isomorphic Labs is a new Alphabet company that is reimagining drug discovery through a computational- and AI-first approach. You'll be working at the cutting edge of the new era of 'digital biology' to deliver a transformative social impact for the benefit of millions of people. As a...

  • Data Scientist

    6 days ago

    London, United Kingdom Harnham Full time

    DATA SCIENTIST CONSULTANT Hammersmith (Remote or Hybrid) Are you a skilled Data Scientist looking to make a meaningful impact in a dynamic consulting environment? Join our team of industry experts dedicated to delivering innovative data-driven solutions for our diverse client base. We specialize in providing tailored consultancy services across various...

  • Senior Data Scientist

    1 day ago

    London, United Kingdom Applied Data Science Partners Full time

    Applied Data Science Partners (ADSP) is an innovative data science and AI consultancy based in London. An exciting opportunity has arisen for a Senior Data Scientist to join us. If you enjoy seeing your work used as part of ‘real-life’ solutions, this is the perfect role for you. Not only will your work directly contribute to our client deliverables,...

  • Data Scientist

    7 days ago

    London, United Kingdom Boston Hale Full time

    Data Scientist Our client, a leading media agency are looking for a Data Scientist to join their growing team. The Data Scientist will be act as a key point of contact for marketing focused projects. As part of a large team, you will design and implement technical solutionsacross Analytics and Machine Learning. Data Scientist Experience: - An excellent...

  • Data Science Data Science Senior Data Scientist

    22 hours ago

    London, United Kingdom Applied Data Science Partners Full time

    Applied Data Science Partners (ADSP) is an innovative data science and AI consultancy based in London. An exciting opportunity has arisen for a Senior Data Scientist to join us. Not only will your work directly contribute to our client deliverables, but you will have the opportunity to see the process through from solution design to deployment, working in...

  • Research Data Scientist

    3 weeks ago

    London, United Kingdom Amazon Full time

    Data Scientist, AWS Generative AI Innovation Center Job ID: 2617017 | AWS EMEA SARL (UK Branch) Are you looking to work at the forefront of Machine Learning and AI? The Generative AI Innovation Center at AWS is a new strategic team that helps AWS customers implement Generative AI solutions and realize transformational business opportunities. This is a...

  • Marketing Data Scientist

    4 weeks ago

    London, United Kingdom Xcede Full time

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

  • Machine Learning Engineer

    4 weeks ago

    London, United Kingdom Data Idols Full time

    **Machine Learning Engineer** Data Idols are proud to be working with a leading applied artificial intelligence company. Who build, deploy, and operate Al solutions to increase performance and reach maximum potential! **The Opportunity** As a Machine Learning Engineer, you will design, build, and deploy production-grade software, infrastructure and...