Skill UI

Programmatically query ChEMBL bioactive molecules, targets, and approved drugs via the Python client; filter by structure, properties, activities, and indications to support inhibitor hunting or SAR studies for medicinal chemistry.

Qiskit is the world's leading open-source framework for building, optimizing, and executing quantum circuits. It provides comprehensive capabilities for quantum error mitigation, running algorithms on diverse hardware backends (including IBM Quantum and simulators), and supporting applications in chemistry and machine learning. Essential for researchers entering the quantum computing field.

RDKit delivers a Python-based cheminformatics toolkit for parsing SMILES/SDF, computing descriptors, generating 2D/3D coordinates, fingerprinting, searching substructures, managing reactions, and visualizing molecules, ideal for drug discovery and computational chemistry workflows.

Cloud-native Rowan orchestrates medicinal chemistry and molecular modeling pipelines via a Python API, offering pKa prediction, docking, descriptors, dynamics, and AI-driven structure workflows for scalable batch screening without local HPC.

This technique guides users to use precise chemical compound names, specific concentration values (e.g., "1.5 mg/L"), and taxonomic synonym counts as exact-match search anchors when querying biological literature. By leveraging quotation marks and combining multiple specific terms, it uniquely identifies research papers or species details, greatly improving search precision in biochemistry and botany.