AI Drug Discovery illustration pack (40 illustrations)
♛ PRO 40 icons in this pack · included with Pro
- Every Pro pack, plus future ones
- Icon editor and recolour
- Molecules, Proteins, Gel Builder and Well Plate exports
- Use in papers, talks and commercial work
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AI Drug Discovery is a Sciicons Pro illustration pack of 40 original, scientifically accurate illustrations. AI drug discovery for papers, posters, slides and teaching: target identification, knowledge graphs, pocket detection, docking, scoring, interaction diagrams and pharmacophores; virtual screening funnels, HTS, IC50 curves, ultra-large chemical space and similarity search; SMILES to graph, fingerprints, descriptors, QSAR, message passing and chemical space maps; diffusion and graph generative models, RL, scaffold hopping and fragment growing; ADMET, SAR, FEP, MPO, toxicity, retrosynthesis and affinity prediction; PROTACs, molecular glues, covalent, peptide and allosteric drugs; pipelines, active learning, self-driving labs and lab-in-the-loop.
Flat, minimal illustrations on a 512 × 512 canvas with one shared palette: clean skeletal molecules, pockets and plots. Every part sits in a named group so Recolor and Edit can target it.
Topics: ai drug discovery, docking, binding pocket, scoring, pharmacophore, virtual screening, qsar, fingerprint, smiles, molecular graph, generative chemistry, diffusion, gnn, admet, lead optimization, fep, protac, molecular glue, covalent drug, peptide drug, active learning, self-driving lab, lab in the loop, hts, target identification, knowledge graph, retrosynthesis.
Targets & structure-based design (7)
AI target identification · Pro
Biomedical knowledge graph linking genes, proteins, drugs, pathways… · Pro
Binding pocket detection · Pro
Protein–ligand docking · Pro
Docking score ranking · Pro
Pharmacophore model · Pro
2D ligand–protein interaction diagram · Pro
Screening & hit finding (5)
Virtual screening funnel · Pro
High-throughput screening · Pro
Dose–response curve with IC50 for a screening hit · Pro
Ultra-large make-on-demand chemical space · Pro
Ligand similarity search · Pro
Molecular representations & QSAR (6)
SMILES string converted into a molecular graph with atoms as nodes… · Pro
Molecular fingerprint · Pro
QSAR model · Pro
Molecular descriptors computed for a compound · Pro
Message passing on a molecular graph · Pro
Chemical space map · Pro
Generative chemistry (5)
Diffusion model for molecules · Pro
Generative graph model · Pro
Reinforcement learning for molecule design · Pro
Scaffold hopping · Pro
Fragment-based design · Pro
Optimization & properties (7)
ADMET prediction · Pro
Lead optimization · Pro
Free energy perturbation (FEP) · Pro
Multi-parameter optimization · Pro
Toxicity prediction · Pro
AI retrosynthesis · Pro
Binding affinity prediction · Pro
Drug modalities (5)
PROTAC · Pro
Molecular glue degrader · Pro
Covalent drug · Pro
Peptide therapeutic · Pro
Allosteric modulator binding a site distinct from the active site… · Pro
AI pipelines & automation (5)
AI drug discovery pipeline from target to clinical candidate · Pro
Active learning loop · Pro
Self-driving lab · Pro
Lab-in-the-loop · Pro
Clinical candidate · Pro
License
Included with Sciicons Pro (one-time lifetime purchase). Use the illustrations in papers, theses, posters, slides, grant figures and teaching; editable SVG with named layers. Redistribution of the files as an icon set is not allowed. See how to cite Sciicons.
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