MedChemInSilico

Computational Tools

Curated tools for metabolism prediction and compound intelligence.

Metabolism Prediction (SMARTCyp)

Predict likely sites of metabolism using SMARTCyp-based models. Useful for early-stage metabolic liability assessment.

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ChEMBL Search

Search bioactivity data, targets, and compounds using ChEMBL database. Ideal for quick SAR exploration and target validation.

Launch ChEMBL Search →