Job Description

Applied AI Specialist – R&D

An AI/ML-focused role supporting an innovative drug discovery team, using advanced machine learning to accelerate molecular design, optimisation, and decision-making. Partnering closely with Chemistry, Biology, and DMPK teams to deploy models into real project workflows.

Key Responsibilities

Build and apply generative AI + predictive models to support molecular design and optimisation

Develop AI models for property prediction* and experimental prioritisation (e.g., efficacy, selectivity, stability, PK/PD)

Work with cross-functional teams to translate scientific challenges into computational solutions

Support target discovery / prioritisation using biological datasets and public resources

Create scalable data platforms and decision-support tools integrating internal + external data

Evaluate external AI partners / CROs / academic collaborations to enhance capabilities

Requirements

PhD / MSc in Computer Science, Computational Chemistry, or related AI/ML field

2+ years hands-on ML experience (industry or academic)

Strong Python + deep learning frameworks (PyTorch/TensorFlow)

Experience applying AI/ML to drug discovery / molecular modelling is preferred

Strong collaboration + communication skills for cross-functional scientific teams

Apply Now

Similar Opportunities

View all jobs

Name	Expiration	Description
ATTBCookie* ATTBUserID ATTB_LinkedUserID	2 years 400 days 1 year	These cookies are used to remember a user’s choice about cookies on thebigjobsite.com. Where users have previously indicated a preference, that user’s preference will be stored in these cookies.
ATTBTracking*	Session	These cookies are used by ATTB to understand user interaction with the website.
last-search search redirect-stage original-keyword	1 day Session 1 hour 1 hour	These cookies are used by thebigjobsite.com to pass search data between our own pages.
datadome	1 year	DataDome is a cybersecurity solution to detect bot activity
jja*	1 days	Used to track if you have seen the Job Alerts prompt and hold settings for your profile. Job Alerts is a service you can subscribe to to receive information about new jobs.

Name	Expiration	Description
_ga _gid _gat_gtag_* _ga_JH3TWMTYRK __gads	Typically ranges from session-based (24 hours) to longer-lasting cookies (up to 2 years).	Google Analytics Cookies: Used for tracking and analytics, these cookies collect information about website usage to help understand user behavior. Visitor tracking, session management, and ad performance analysis.
_gcl_au NID DV UULE, EUULE	Typically lasts from a few days to months.	Google Ads / AdSense Cookies: Cookies used for advertisement personalization, conversion tracking, and remarketing by Google Ads. Track ad clicks and impressions, personalize ad content, and measure conversions.
_uetsid _uetvid	Typically lasts from a few days to months.	Microsoft Advertising (Bing Ads): Microsoft's tracking cookies for advertising and user analytics. Track user sessions and unique visitors for remarketing campaigns.
SID SSID SAPISID, APISID SIDCC SOCS AEC	Typically lasts from a few days to months.	Google Account/Authentication Cookies: These cookies are set by Google services (e.g., Gmail, YouTube) to manage user sessions, preferences, and account security. Authentication, session security, and maintaining user preferences.
__secure*	Typically lasts from a few days to months.	Secure Cookies (Potentially Third-Party): Cookies prefixed with __secure* are often used for enhanced security in user sessions or tracking. These are typically first- or third-party cookies, depending on their origin.
MSPTC MUID SRCHD SRCHHPGUSR SRCHUID SRCHUSR USRLOC WLS _EDGE_S _EDGE_V _SS _U ANON	Typically lasts from a few days to months.	These cookies form part of an analytics service that connects data from Bing with actions performed on the website. These cookies allow Bing to serve relevant advertisements to visitors across the Microsoft Bing network
_clck _clsk CLID ANONCHK MR MUID SM	Typically lasts from a few days to months.	Microsoft Clarity: is a cutting-edge behavioral analytics tool that helps us understand user interaction with your website. By using Clarity, we can enhance the user experience.

Barrington James

Artificial Intelligence Researcher

Job Description

Similar Opportunities

skywork ai pte. ltd.

ARTIFICIAL INTELLIGENCE (AI) RESEARCHER

persol apac