7,300+
Human proteins screened
Binding is predicted across the human proteome from the compound structure, so unintended off-targets show up early in design.
Cytocast Risk Score for StarDrop
The Cytocast Risk Score adds one column to your StarDrop data set: a severity-weighted estimate of each compound’s clinical side-effect burden, predicted from its protein targets. Use it to compare analogues, rank a series and decide which candidates deserve a closer look.
Connect StarDrop to Cytocast.
Configure the model server once, then run Cytocast Risk Score on compounds in your StarDrop datasets.
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Structure
Compound ID
NK2 pKi
Series
Cytocast Risk Score
1
50116745
9.523
Amide oxime
21.4
2
50116748
9.481
Amide oxime
28.0
3
50116752
9.412
Amide oxime
19.2
4
50116760
9.365
Amide oxime
36.5
5
50116771
9.330
Amide oxime
24.8
6
50116784
9.295
Amide oxime
22.1
7
50116792
9.260
Amide oxime
29.7
8
50110655
9.222
Amide oxime
25.3
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Model Path:Models Tab → Custom → Cytocast → Cytocast Risk Score
From targets to side effects. One score to compare.
Most clinical side effects start with what a molecule binds to. The Cytocast Risk Score predicts a compound’s protein targets, predicts its side-effect profile directly from those targets, and condenses the result into one number: higher means more, and more severe, predicted side effects.
The score is built for comparison. Use it to rank analogues within a series, triage a library or check a candidate against known drugs, next to your existing StarDrop ADME predictions, MPO profiles and assay data.
1,200+
Side effects predicted
A multi-label model, trained on EMA and FDA product labels, predicts clinical side effects straight from the target profile. All of them feed the score.
5 Tiers
Weighted by clinical severity
A life-threatening reaction counts ten times more than a mild, manageable one, so the score reflects how serious the risk is, not just how many side effects are predicted.
How the score is calculated
Each predicted side effect, coded as a MedDRA Preferred Term, is assigned to one of five severity tiers. The tiers were defined with domain experts from several pharmaceutical companies and research institutes, based on clinical severity, reversibility and regulatory impact.
Risk Score = Σ (predicted side effect × severity weight)
Because every predicted side effect adds to the total, the score has no fixed ceiling. In cross-validation, median predicted scores tracked observed scores across therapeutic (ATC) classes closely (Spearman ρ = 0.93), so the score keeps known risk differences between drug classes intact.
This StarDrop version works directly from predicted targets. It does not run the protein complex, pathway or tissue-level analyses of the full Cytocast platform.
| Severity tier | Weight | Example side effects |
|---|---|---|
| Tier 1 | 0.10 | Dizziness, decreased appetite, paraesthesia |
| Tier 2 | 0.20 | Nausea, headache, rash |
| Tier 3 | 0.30 | Vomiting, diarrhoea, pyrexia |
| Tier 4 | 0.75 | Hypersensitivity, thrombocytopenia, seizure |
| Tier 5 | 1.00 | Anaphylactic reaction, death, Stevens-Johnson syndrome |
Tiers 1–3 cover mild, manageable reactions; Tiers 4–5 cover severe, organ-toxic or life-threatening ones.
Interpreting the risk score
Score scale
The score reflects the number and severity of predicted side effects. It is not a percentage or a 0–100 rating, and it has no fixed upper limit.
Compound comparison
A lower score indicates a lower predicted side-effect burden. Compare compounds in your series or use relevant reference drugs, alongside potency, ADME and other properties in StarDrop.
Detailed predictions
The StarDrop extension returns the risk score. The Cytocast platform provides individual side-effect predictions and analyses of targets, protein complexes and pathways.
Need the full picture? Use the Cytocast platform.
The Risk Score is for fast comparison. The Cytocast platform evaluates individual drugs in depth and compares multiple candidates side by side, from predicted targets to perturbed protein complexes, pathways and individual side effects.