ML is the solvent

Machine Learning for Science

Models, simulations, and expert review for the decisions that matter.

For biotech founders, academic groups, independent researchers, and clinicians who need answers grounded in real computation, not vibes.

Book a consultation See pricing £100, 60 minutes. Fixed-quote work to follow.

Bespoke ML, 0.95+ AUC

  • ADMET, BBBP, and chemical property prediction
  • Stereochemistry-aware featurisation, external validation
  • Generalisability boosters baked in
  • You own the trained model and pipeline

Mechanistic PK-PD

  • RK4 integration of physiologically grounded ODEs
  • Confidence intervals on every parameter
  • Validated against published kinetics
  • Numbers your clinical pharmacologist will trust

Peer-reviewed standards

  • Methods and write-ups built to journal standards
  • Currently under review at J. Pharmacokinet. Pharmacodyn.
  • Defensible in front of investors, regulators, and editors
  • Queen Mary University of London
  • University College London
  • J. Pharmacokinet. Pharmacodyn.
  • Cambridge Cheminformatics Network
  • Royal Society of Chemistry

Valued by partners across biotech and clinical care

  • Thermo Fisher Scientific
  • South West London Integrated Care System
  • NexCo

What we do

01

Bespoke ML model development

You bring the target. We design, train, and validate the model. Graph neural networks, transformer-based property prediction, multi-task ADMET architectures.

  • Trained model and weights
  • Validation report, internal and external sets
  • Reproducible pipeline you own outright
02

ADMET, BBBP, and PK-PD as a service

Send us your compounds. Useful for early triage, dose-setting questions, and building a defensible quantitative case before the wet-lab spend.

  • Permeability predictions and full ADMET profiles
  • Mechanistic PK-PD simulations with confidence intervals
  • Written interpretation, plain language plus the maths
03

Cheminformatics pipeline consulting

Architecture, methods, and validation review for groups building their own computational stack. We tell you what to keep, what to throw out, and where the silent failure modes are.

  • Pipeline audit and architecture review
  • Methods and validation memo, prioritised by risk
  • Followup support during remediation
04

Expert review and due diligence

Independent assessment of computational claims in papers, pitch decks, or grant applications. For investors, programme managers, and editors who need a second pair of eyes that knows where the bodies are buried.

  • Written report with confidence-rated findings
  • Identified red flags and defensible positions
  • Action items the team can execute against

Process

  1. Consultation

    60 minutes, £100, paid upfront. We talk through the problem, what you have, what you need, and what's actually feasible. You leave the call with a clear picture of the work, even if you don't engage further.

  2. Quote

    Within an hour of the call ending, you receive a fixed quote with scope, deliverables, and timeline. No retainers, no surprise hourly bills.

  3. Engagement

    We do the work. You get progress updates at agreed checkpoints and final deliverables in a form you can actually use. Standard projects close in two to six weeks.

Start with a consultation

Founder

Nabil Yasini-Ardekani

Yasini-Ardekani operates at the intersection between Materials Science and Machine Learning.

Pursuing a PhD in Computational Chemistry on the frontier of Machine Learning for Science, focused on accelerating materials discovery and cutting compute costs by up to 95%.

The same techniques transfer directly to drug discovery, where Dis-Solved operates today. Clients work with a real ML scientist actively contributing to chemical research, with eight years of teaching and research at UCL behind the ability to explain complex science plainly.

The literature is flooded with models, workflows, and pipelines. Most don't transfer to your problem. Yasini-Ardekani's job is figuring out which do, when to combine them, and when to build from scratch.

Portrait of Nabil Yasini-Ardekani

Achievements

0.96

BBBP tri-hybrid GNN

GAT / GCN / GraphSAGE architecture, ~7,800 curated compounds, stereochemistry preserved through the featurisation pipeline.

JPKPD

Manuscript under review

Journal of Pharmacokinetics and Pharmacodynamics. Mechanistic prodrug PK model for lisdexamfetamine with first-principles nutrition-aware absorption.

3

ADMET toolkit

Multi-task CYP450 prediction, hERG cardiotoxicity classifier, MAT-based transporter model. Production-ready, validated on external sets.

RK4

DoseTrack

Mechanistic PK-PD simulator built on RK4 integration of physiologically grounded ODEs, validated against published lisdexamfetamine kinetics.

Pricing

Initial consultation. £100, 60 minutes, paid before the call. You leave with a clear picture of the work, even if you don't engage further.

Project work. Fixed quote, delivered within an hour of the call. Scope, deliverables, and timeline agreed upfront. No retainers. No hourly billing. No surprises.

Contact

Email to book a consultation