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AI-Powered Drug Discovery

ML is the solvent.

Advanced in silico tools for CNS therapeutics and safer stimulant design. High-performance ML models that outperform state-of-the-art benchmarks.

About Dis-Solved

Dis-Solved is an independent AI-powered platform dedicated to making advanced in silico drug discovery accessible, affordable, and targeted—especially for central nervous system (CNS) therapeutics and safer stimulant design.

Founded and built single-handedly by Nabil Yasini, Dis-Solved started as a personal project on a modest laptop: developing high-performance, interpretable machine learning models that outperform many state-of-the-art benchmarks in key ADMET predictions. What began as a breakthrough blood-brain barrier permeability (BBBP) predictor (achieving 0.92 internal AUC and 0.96 on external validation, with explicit stereoisomer training) has evolved into a modular toolkit tailored for early-stage screening of ADHD and neuropsychiatric drug candidates.

Our core focus:

  • Specialized predictions for monoamine transporter activity (including kinetics for DAT, NET, SERT)
  • Toxicology screening
  • PK/PD curve simulation
  • Abuse potential scoring—to help design lower-liability stimulants

By leveraging clever data augmentation and modern graph neural networks, we've created tools that are not only accurate and explainable but also beginner-friendly and priced for real-world use—starting from free tiers up to affordable subscriptions.

At Dis-Solved, we believe cutting-edge AI shouldn't be locked behind enterprise paywalls or massive teams. We're here to empower academics, small biotechs, indie researchers, and drug hunters to screen smarter, fail faster, and advance safer CNS therapies.

Whether you're a student exploring computational chemistry or a startup optimizing leads, Dis-Solved is your practical partner in dissolving the toughest challenges in drug discovery.

Blood-Brain Barrier Predictor

State-of-the-art BBB permeability prediction

0.96
External AUC
0.92
Internal AUC
GNN
Architecture
3D
Stereo-Aware

Insilico Drug Discovery Toolkit

Comprehensive ADMET prediction suite

🧠

MAT Transporter

DAT/NET/SERT substrate & blocker prediction

0.968 AUC
⚠️

Abuse Potential

HIGH/MODERATE/LOW liability scoring

100% Dev Acc
❤️

Cardiotoxicity

hERG channel blocking prediction

0.91 AUC
💊

Metabolism

CYP450 drug-drug interactions

0.88 AUC

Services

Free Tier

Basic access to prediction tools

  • ✓ BBB Permeability
  • ✓ Basic ADMET
  • ✓ 50 predictions/day

Pro

Full toolkit access

  • ✓ All predictors
  • ✓ Batch processing
  • ✓ API access
  • ✓ Priority support

Enterprise

Custom solutions

  • ✓ Custom models
  • ✓ On-premise deployment
  • ✓ Dedicated support
  • ✓ Consulting

Get In Touch

Interested in our tools or custom solutions? Reach out!