Gokulam AI

Molecular Transformer Engine v4.0

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Input SMILES

Model Parameters

Temperature (Sampling) 0.75
Beam Search Width 10

"The Transformer model is currently processing using the USPTO-Gold dataset. Attention weights are calibrated for cross-coupling and Friedel-Crafts reaction types."

Reaction Scheme

Top-1 Result Confidence: 94.2%
Reactants 2D
SMILES: CC(=O)Cl.c1ccccc1
AlCl3
DCM, 25°C
O
CC(=O)c1ccccc1 (Acetophenone)

Predicted Alternatives

CC(=O)c1ccccc1C(C)=O 4.1%
c1ccccc1.CC(=O)O 1.2%
Unknown Byproduct 0.5%

Retrosynthesis Preview

Target
SM1
SM2
...

Training Context

  • Patent Coverage (USPTO) 3.2M Reactions
  • Thieme SOS Quality Verified
  • Inference Latency 124ms