medicinal chemist

DataAnnotation

<div>
 We are looking for a Research Scientist (Chemistry) to join our team to train AI models. You will measure the progress of these AI chatbots, evaluate their logic, and solve problems to improve the quality of each model.
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 <br/>
 In this role you will need to hold an expert level understanding of chemistry. Other related fields include, but are not limited to: Research and Development Chemist, Formulation Scientist, Development Chemist, Analytical Chemist, Chemical Engineer, Medicinal Chemist, Biochemist, Process Development Chemist.
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 <strong>
  Benefits
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 </strong>
 <ul>
  <li>
   This is a full-time or part-time REMOTE position
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   You&rsquo;ll be able to choose which projects you want to work on
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   You can work on your own schedule
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   Projects are paid hourly starting at $40+ USD per hour, with bonuses on high-quality and high-volume work
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  </li>
 </ul>
 <strong>
  Responsibilities
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  <br/>
 </strong>
 <ul>
  <li>
   Give AI chatbots complex chemistry questions and evaluate their outputs
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  <li>
   Evaluate the quality produced by AI models for correctness and performance
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  </li>
 </ul>
 <strong>
  Qualifications
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  <br/>
 </strong>
 <ul>
  <li>
   Fluency in English (native or bilingual level)
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   Detail-oriented
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   Solid knowledge of general, organic, and physical chemistry concepts
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   A current, in progress, or completed Masters and/or PhD is preferred but not required
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 <strong>
  Notes
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 </strong>
 Payment is made via PayPal. We will never ask for any money from you. PayPal will handle any currency conversions from USD. Only applicants in the United States will be considered for this role. This is an independent contract position.
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 #chem
</div>


Research Scientist (Chemistry)

Aragen life sciences

<div><div><div><h6 class="jobSectionHeader"><b>LOCATION</b></h6><div>
Hyderabad, India</div></div><div><h6 class="jobSectionHeader"><b>
DEPARTMENT</b></h6><div>
Chemistry Solutions</div></div></div><div></div><div><div><b><br>
Years of experience:</b> to</div><div><b>
Salary Range:</b> INR to (Annual)</div><p></p><div><b><br>
Scope</b></div><p><b><br>
This role is responsible for client projects by route designing and synthesis of molecules as per client specifications, independently or through supervision of a team of chemist.</b></p><p><b>
Responsibilities</b></p><p><b>
 Set-up and execute reactions for synthesis of target molecules</b></p><ul><li><div><b>
Understand the project requirements and deliverables from manager as specified by the client</b></div></li><li><div><b>
Understand the reaction protocol and search literature as required</b></div></li><li><div><b>
Efficiently delegate work and monitor team members for effective planning, execution and delivery</b></div></li><li><div><b>
Understand and discuss the MSDS (Material Safety Data Sheet) with team members</b></div></li><li><div><b>
Identify and mitigate any potential safety risk with the help of supervisor</b></div></li><li><div><b>
Plan and execute reactions with proper reagents and equipment (glassware, stirrers, vacuum pumps etc.) maintaining specified conditions (temperature, pressure etc.), with optimum usage and minimum wastage</b></div></li><li><div><b>
Ensure parallel execution of multiple reactions</b></div></li><li><div><b>
Monitor the reaction by observing progress by using analytical techniques</b></div></li><li><div><b>
Identify and execute appropriate workup and purification technique to produce an intermediary / final compound of desired quality</b></div></li><li><div><b>
 </b><b>Analyze analytical data, evaluate and interpret results from the synthesis and report</b></div></li><li><div><b>
Meet productivity benchmarks on number of reactions / number of steps / number of compounds / quality / compounds purity / project timelines</b></div></li></ul><ul><li><b> Improve delivery efficiency and quality through project management</b></li></ul><ul><li><div><b>
Support project manager in finalizing the estimation of the project by identifying relevant literature, proposing appropriate synthetic route/ reaction design and by assessing project risks and challenges</b></div></li><li><div><b>
Prepare weekly / monthly/ final reports as required</b></div></li></ul><ul><li><b>Ensure safety at work through enforcement of good laboratory practices</b></li></ul><div></div><ul><li><div><b>
Follow safety and quality systems in the labs</b></div></li><li><div><b>
Maintenance and usage of equipment/apparatus/instruments as per SOPs and general housekeeping norms</b></div></li></ul><p><b>
 Maintain records, data integrity and IP confidentiality</b></p><ul><li><div><b>
Document reactions executed, research findings/ observations accurately in lab note books as per client requirements to ensure data integrity</b></div></li><li><div><b>
Maintain strict IP confidentiality and adhere to all related policies</b></div></li><li><div><b>
To prepare final reports as required</b></div></li><li><div><b>
Identify and report non-compliance of LNB guidelines update by junior team members</b></div></li></ul><div></div><div><b><br>
 Ensure high morale and skill development of team:</b></div><div></div><ul><li><div><b>
Improve knowledge of organic chemistry (particularly synthesis) / Analytical techniques etc. through ono on one discussions with supervisor/ regular classroom trainings/ project trainings/ further education programs etc.</b></div></li><li><div><b>
Guiding a teams of chemists to meet productivity/ quality targets.</b></div></li><li><div><b>
Train and develop team members, regularly review their performance</b></div></li></ul><div></div><div><b><br>
Functional/ Technical Skills</b></div><div></div><ul><li><div><b><br>
Knowledge of Chemistry &amp; Execution</b></div></li><li><div><b>
Knowledge of Safety Protocols</b></div></li><li><div><b>
Knowledge of IP &amp; Confidentiality and Data Integrity</b></div></li><li><div><b>
Ability to conduct cost benefit analysis and optimum usage of resources</b></div></li></ul><div></div><div><b><br>
Required Educational Qualification &amp; Relevant experience</b></div><div></div><div><b><br>
Msc (Organic/ Medicinal Chemistry) with 1 - 5 years of relevant experience</b></div><div></div><div><b><br>
Or</b></div><div></div><div><b><br>
Ph.D. / PDF (Organic/ Medicinal Chemistry) with 1 &ndash; 3 years of relevant experience</b></div><div></div><div><b><br>
Additional Requirements</b></div><div></div><div><b><br>
Candidates with their research publications in leading journals would be preferred</b></div><p></p><p><b><br>
Additional Responsibilities:</b></p><p><b>
Reporting Team</b></p><ul><li><b>
Reporting Designation:</b></li><li><b>
Reporting Department:</b></li></ul><p><b>
Educational qualifications preferred</b></p><ul><li><b>
Category:</b></li><li><b>
Field specialization:</b></li><li><b>
Degree:</b></li><li><b>
Academic score:</b></li><li><b>
Institution tier:</b></li></ul><p><b>
Required Certification/s:</b></p><p><b>
Required Training/s:</b></p><p><b>
Required work experience</b></p><ul><li><b>
Industry:</b></li><li><b>
Role:</b></li><li><b>
Years of experience:</b></li></ul><p><b>
Key Performance Indicators:</b></p><p><b>
Required Competencies:</b></p><p><b>
Required Knowledge:</b></p><p><b>
Required Skills:</b></p><p><b>
Required abilities</b></p><ul><li><b>
Physical:</b></li><li><b>
Other:</b></li></ul><p><b>
Work Environment Details:</b></p><p><b>
Specific requirements</b></p><ul><li><b>
Travel:</b></li><li><b>
Vehicle:</b></li><li><b>
Work Permit:</b></li></ul><p><b>
Other details</b></p><ul><li><b>
Pay Rate:</b></li><li><b>
Contract Types:</b></li><li><b>
Time Constraints:</b></li><li><b>
Compliance Related:</b></li><li><b>
Union Affiliation:</b></li></ul></div></div><p></p>

Associate Scientist

HotSpot Therapeutics

<p></p><div><p><b>Full-time, hybrid role based in Boston, MA</b></p>
<p><b>About HotSpot Therapeutics, Inc.</b></p>
<p>
At HotSpot Therapeutics, nature is inspiring us to create a wave of new medicines. Through a proprietary technology platform, we are uncovering privileged allosteric sites used by nature to control proteins &ndash; called <i>regulatory hotspots</i>&ndash; that can be exploited through small molecule drug discovery. Regulatory hotspots are allowing sought-after targets to be drugged for the first time while delivering molecules with exquisite selectivity and attractive drug-like properties.</p>
<p>
Hotspot is supported by a syndicate of leading healthcare investors based in the US and Europe. You will be joining a seasoned team of drug hunters with an excellent track record in drug discovery. At HotSpot, we&rsquo;re not just looking for the brightest minds or for the most brilliant individual contributors. We want passionate team members who are comfortable adjusting their lens, aren&rsquo;t afraid to think big, test bold ideas, and celebrate collective wins. We have established core values that resemble who we are and define our company culture. We are building a company where values drive everything we do inside and outside the organization.</p>
<p>
#Courageous Adventurers #Leave your Mark #Keep it Human #Make it Real</p>
<p><b>
SUMMARY:</b></p>
<p>
Reporting to the Senior Director, Medicinal Chemistry, the Director role is a key leadership position within HotSpot&rsquo;s drug discovery programs. The successful candidate will co-lead a discovery program team in close partnership with a lead biologist, driving strategic and scientific direction. This hybrid role, based in Boston&rsquo;s Seaport District, offers a high degree of flexibility. Responsibilities include, but are not limited to, the following:<br>
<b>RESPONSIBILITIES:</b></p>
<ul>
<li>Lead medicinal chemistry efforts in collaboration with biology and cross-functional partners to advance programs from hit identification through clinical candidate nomination.<br>
<ul><li>Design new compounds for synthesis.</li><li>Experience in leverage advanced modeling techniques and utilizing computational tools for structure-based drug design and lead optimization.</li><li>Manage external chemistry resources (CROs), including oversight of synthesis activities, timelines, and scientific direction to ensure quality and timely delivery.</li><li>Work with a matrixed team in computational chemistry/ADME/pharmacology/process chemistry to deliver high-quality output.</li><li>Present key data, conclusions, and recommendations to project teams and senior management effectively and concisely; support preparation of board and business development materials.</li></ul></li>
</ul>
<p><b>QUALIFICATIONS:</b></p>
<ul>
<li>Ph.D. degree in organic chemistry or medicinal chemistry and a minimum of 10+ years of relevant experience in small molecule drug discovery within pharmaceutical and/or biotech setting.<br>
<ul><li>Previous experience in chemical methodology and/or total synthesis.</li><li>Driven, self-motivated, and proactive; able to independently identify objectives, design strategies, and execute plans to achieve goals.</li><li>Effective mentor and communicator; able to lead scientific discussions and influence project direction within a collaborative, matrixed environment.</li><li>Comfortable working within distributed team model including use of Zoom or other video-conference tools.</li><li>Ability to integrate data/input from different sources and team members.</li><li>Deep expertise in synthetic chemistry and structure-based drug design.</li><li>Experience leading medicinal chemistry efforts within cross-functional discovery teams.</li><li>Strong track record of peer-reviewed publications and/or patent filings.</li></ul></li>
</ul>
<p><b>OUR BENEFITS:</b></p>
<p>
We believe that people are our greatest resource and foster a supportive environment that provides growth and development for all. We recognize and reward performance and incentivize long-term success. From benefits that focus on your health and well-being to competitive compensation to equity ownership, we want to inspire our employees to be their best!</p><br>
<p></p>
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Our Benefits Include, But Are Not Limited To:</p>
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Competitive salary and bonus plans</p>
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New hire stock option award</p>
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Comprehensive package of benefits plans and fringe benefits</p>
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Generous paid holidays, time off, including company-wide shutdowns</p>
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Flexible working arrangements; hybrid work model</p>
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Amazing team of supportive colleagues</p><br>
<p></p>
<p>
At HotSpot, we have a bold mission to establish a new drug discovery paradigm. If this appeals to you, please let us know at iamcurious@hotspotthera.com.</p>
<p>
HotSpot is an equal opportunity employer. We celebrate diversity and are committed to creating an inclusive environment for all employees.</p>
<div><div><p>Apply today!</p>
<div></div><div>iamcurious@hotspotthera.com</div></div></div></div>

Director, Medicinal Chemistry

Lila Sciences

<div>
 <strong>
  About Lila
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 </strong>
 Lila Sciences is the world&rsquo;s first scientific superintelligence platform and autonomous lab for life, chemistry, and materials science.  We are pioneering a new age of boundless discovery by building the capabilities to apply AI to every aspect of the scientific method.  We are introducing scientific superintelligence to solve humankind's greatest challenges, enabling scientists to bring forth solutions in human health, climate, and sustainability at a pace and scale never experienced before. Learn more about this mission at  www.lila.ai
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 If this sounds like an environment you&rsquo;d love to work in, even if you only have some of the experience listed below, we encourage you to apply.
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  Your Impact at Lila
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 </strong>
 Join our Drug Discovery group to build and deploy ligand-based AI that turns noisy, real-world assay data into decisive design guidance for hit-to-lead and lead optimization. You&rsquo;ll create QSAR models, retrosynthesis-aware generative design tools, and active-learning loops that partner with medicinal chemists to deliver better compounds, faster. This role complements our structure-based docking team by focusing on assay-driven, synthesis-constrained optimization&mdash;even when structures are uncertain or unavailable&mdash;ultimately accelerating DMTA cycles and improving candidate quality.
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  What You'll Be Building
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 <ul>
  <li>
   Ligand-based QSAR modeling: Develop multi-task and transfer-learned models for potency, selectivity, and developability (e.g., solubility, permeability, clearance, CYP/hERG, safety liabilities) using graph/message-passing, and conformer-aware features. Handle activity cliffs, applicability domain, and calibration for robust decision-making.
  </li>
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   Assay-driven hit triage and prioritization: Build models that learn from HTS, DEL, and follow-up assays; robust curve-fitting (4PL/5PL), plate/batch effect correction, dose&ndash;response QC, and time-split/scaffold-split evaluations to ensure prospective reliability.
  </li>
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   Closed-loop DMTA and MPO: Create active learning and Bayesian optimization strategies to propose the next best analogs under multi-parameter objectives (potency, selectivity, exposure, safety, IP). Incorporate uncertainty, diversity, and experimental cost to maximize information gain per cycle.
  </li>
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   Synthesis-aware design and retrosynthesis: Integrate template-based and template-free retrosynthesis with reaction prediction, condition and yield modeling, building-block availability, and cost/time/risk scoring. Make design suggestions that are directly makeable and prioritize routes compatible with internal/partner capabilities.
  </li>
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   Generative and enumerative libraries: Build BRICS/RECAP/fragment-linking enumerations and property-conditioned generative models (diffusion/RL/flow) that respect synthetic constraints and matched molecular pair (MMP) rules for local SAR exploration and scaffold hopping.
  </li>
  <li>
   SAR mining and explainability: Automate MMP analysis, local SAR maps, and substructure attributions to surface chemist-actionable insights; link assay deltas to specific modifications and highlight potential bioisosteres and de-risking moves.
  </li>
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   Data foundations: Establish cheminformatics pipelines for standardization (tautomer/salt/charge), deduplication, structure normalization, and assay/ELN/LIMS ingestion; define ontologies and metadata for traceability and reproducibility.
  </li>
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   Rigorous evaluation and deployment: Design leakage-safe splits (scaffold, temporal, series-aware), conformal prediction for calibrated decisions, and prospective tests. Ship APIs and tools that integrate with medchem workflows, procurement, and automated synthesis.
  </li>
  <li>
   Cross-functional partnership: Work closely with medicinal chemists, DMPK, biology, and automation to translate TPPs into modeling objectives and to operationalize model recommendations in real make&ndash;test cycles. Collaborate with structure-based colleagues to fuse physics- and assay-derived signals where beneficial.
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  </li>
 </ul>
 <strong>
  What You&rsquo;ll Need to Succeed
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 </strong>
 <ul>
  <li>
   Strong proficiency in Python and modern ML (PyTorch/JAX/TF, scikit-learn, XGBoost/CatBoost), with experience training at scale and deploying end-to-end pipelines.
  </li>
  <li>
   Deep experience in ligand-based modeling (QSAR/QSPR, multi-task learning, uncertainty and applicability domain, calibration) and ADMET prediction for medicinal chemistry.
  </li>
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   Solid grasp of medicinal chemistry principles: SAR development, bioisosteres, property tuning (pKa/logD/PSA), selectivity design, and liability mitigation (CYP, hERG, reactivity, permeability, solubility).
  </li>
  <li>
   Cheminformatics and data tooling: RDKit, Chemprop/DeepChem, conformer generation, fingerprints/descriptors, ELN/LIMS integration, and assay data processing/curve-fitting.
  </li>
  <li>
   Retrosynthesis and synthesis planning: Familiarity with template-based/template-free methods, route scoring, reaction/yield/condition prediction, building block catalogs, and makeability constraints.
  </li>
  <li>
   Active learning and design-of-experiments: Bayesian optimization, diversity sampling, and portfolio-aware selection under experimental and synthesis budgets.
  </li>
  <li>
   Ability to design rigorous, leakage-controlled benchmarks and prospective validations; experience with scaffold/time splits and activity-cliff-aware evaluation.
  </li>
  <li>
   Strong self-starter with excellent attention to detail and clear communication; able to collaborate tightly with chemists and biologists.
  </li>
  <li>
   Demonstrated industry experience or academic achievement.
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  </li>
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 <strong>
  Bonus Points For
  <br/>
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 <ul>
  <li>
   PhD in Chemoinformatics, Medicinal Chemistry, Computational Chemistry, Computer Science, or related field with a strong publication record in ML/drug discovery venues.
  </li>
  <li>
   Experience building synthesis-aware generative models and integrating retrosynthesis into design loops; familiarity with tools like ASKCOS/AiZynth-style planners or equivalent.
  </li>
  <li>
   Track record improving DMTA cycle time and MPO outcomes in live programs; integration with procurement and automated synthesis platforms.
  </li>
  <li>
   Expertise with MMPA, activity-cliff handling, conformal prediction, and applicability-domain diagnostics in production.
  </li>
  <li>
   Experience triaging HTS/DEL data, PAINS/aggregator/covalent liability filters, and off-target/polypharmacology prediction.
  </li>
  <li>
   MLOps for cheminformatics: data versioning, experiment tracking, model serving/monitoring, and cloud/HPC scaling.
   <br/>
   <br/>
  </li>
 </ul>
 <strong>
  We&rsquo;re All In
  <br/>
  <br/>
 </strong>
 Lila Sciences is committed to equal employment opportunity regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity or Veteran status.
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 <strong>
  A Note to Agencies
  <br/>
  <br/>
 </strong>
 <em>
  Lila Sciences does not accept unsolicited resumes from any source other than candidates. The submission of unsolicited resumes by recruitment or staffing agencies to Lila Sciences or its employees is strictly prohibited unless contacted directly by Lila Science&rsquo;s internal Talent Acquisition team. Any resume submitted by an agency in the absence of a signed agreement will automatically become the property of Lila Sciences, and Lila Sciences will not owe any referral or other fees with respect thereto.
 </em>
</div>


Machine Learning Scientist, Medicinal Chemistry & Lead Optimization

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