Scientist in AI and Computational Chemistry will be a key role in shaping up the AI-enabled Drug Discovery (AIDD) project that aims at the total drug discovery solution from design to delivery.You will work closely with other scientists to build the key analysis and prediction modules used in SaaS-based drug design solution employing the artificial intelligence and machine-learn (AI/ML) techniques as well as other algorithmic approaches, and work with the reaction automation team to support the link between drug-design and drug-delivery. In this role, you will be typically involved in activities, such as:Building the computational chemistry engine for drug discovery purposed based on ML/AL and other procedural algorithmsCurating large structure-activity-relationship (SAR) datasets and building predictive models from themKeeping up with the latest development in computational chemistry and machine-driven drug discovery in publications to improve the existing products based on themApplying ML/AL on the traditional computational chemistry approaches in molecular mechanics, molecular dynamics, protein folding, etc.Documenting data, data curation and model building processesWorking closely with the product team for supporting their needs in ChemInformaticsAnalyzing complex problems in AIDD and articulating solution ideas based on ChemInformatics and AI/ML approachesWorking with potential customers or business team to craft solutions for business needsProviding proof-of-concepts for testing out ideas and communicating ideas with solution teamFollowing an agile development approach in building PoC and core modulesWho You Are: Minimum Qualifications:Ph.D. in biology, chemistry or related area Preferred Qualifications: To be an ideal candidate for this role, you shouldHave an excellent working knowledge in computational chemistry, and drug-discovery process, and ChemInformaticsBe familiar with tools for data science, such as data analysis, data processing, statistics, AI/ML, etc., and be able to use those tools to create working PoC for demonstration purposes, which implies practical and in-depth programming skills in Python, Java, JavaScript, C++, etc.Be able to build AI/ML models for SAR endpoints starting from raw dataBe curious and innovative with a strong desire to revolutionize the drug-discovery processBe able to work with AIDD customers to extract their needs and design solutions from themBe an excellent verbal and written communicatorWork collaboratively with others within the team and across teamsPreferably familiar with the agile development process