Table 4 Distribution of keywords used in articles in the field of AI and Drug Discovery (Wos CC, 2024)

2 Chemistry

 2.123 Protein Structure, Folding & Modelling

  2.123.13 Protein Folding

  2,123,778 QSAR

 2.160 Microfluidic Devices & Superhydrophobicity

  2.160.2038 Flow Chemistry

  2.160.174 Microfluidics

 2.190 Surfactants, Lipid Bilayers & Antimicrobial Peptides

  2.190.857 Antimicrobial Peptides

  2.190.254 Lipid Bilayers

 2.15 Physical Chemistry

  2.15.123 Bulk Modulus

  2.15.3 CCSD

 2.1 Synthesis

  2.1.1402 Click Chemistry

  2.1.549 Chalcones

1 Clinical & Life Sciences

 1.54 Molecular & Cell Biology—Genetics

  1.54.79 Gene Expression Data

  1.54.2447 Bromodomains

 1.104 Virology—General

  1.104.1353 Coronavirus

 1.155 Medical Ethics

  1.155.1510 Orphan Drugs

  1.155.2316 Pharmacovigilance

 1.117 Pharmacology & Toxicology

  1.117.179 Cytochrome P450

  1.117.1309 Acetaminophen

 1.25 Molecular & Cell Biology—Cancer, Autophagy & Apoptosis

  1.25.887 RAS

  1.25.782 Proteasome

4 Electrical Engineering, Electronics & Computer Science

 4.17 Computer Vision & Graphics

  4.17.1901 Genome Rearrangement

  4.17.128 Deep Learning

 4.61 AI & Machine Learning

  4.61.145 Feature Selection

  4.61.1335 Self Organising Maps

  4.61.869 Clustering

 4.48 Knowledge Engineering & Representation

  4.48.120 Complex Networks

  4.48.1522 Big Data

 4.116 Robotics

  4.116.1415 Human–Robot Interaction

  4.116.862 Reinforcement Learning

 4.187 Security Systems

  4.187.1702 Differential Privacy

  4.187.12014 Blockchain

3 Agriculture, Environment & Ecology

 3.198 Mycotoxins

  3.198.904 Streptomyces

  3.198.926 Endophytic Fungi

 3.16 Phytochemicals

  3.16.2062 Aloe Vera

  3.16.2318 Silymarin

 3.180 Microbial Biotechnology

  3.180.2188 Prolidase

  3.180.1338 Phosphofructokinase

 3.85 Food Science & Technology

  3.85.1687 Bioactive Peptides

  3.85.741 Chitosan

 3.220 Smell & Taste Science

  3.220.1242 Aspartame

5 Physics

 5.56 Quantum Mechanics

  5.56.1673 Geometric Phase

  5.56.9 Entanglement

 5.221 Nuclear Instruments

  5.221.1034 Electron Tomography

 5.9 Particles & Fields

  5.9.746 Gravitational Waves

 5.250 Imaging & Tomography

  5.250.1881 Photoacoustic Imaging

 5.88 Electromagnetism

  5.88.418 X-ray Reflectivity

 5.310 Resistive Switching

  5.310.1164 Resistive Switching

 5.98 Geometrical Optics

  5.98.1073 Digital Holography

 5.33 Semiconductor Physics

  5.33.632 Diluted Magnetic Semiconductors

 5.38 Optical Electronics & Engineering

  5.38.198 Silicon Photonics

9 Mathematics

 9.92 Statistical Methods

  9.92.1271 Competing Risks

  9.92.1337 Causal Inference

 9.162 Numerical Methods

  9.162.1864 Logistic Source

 9.143 Dynamical Systems & Time Dependence

  9.143.1163 Stochastic Resonance

 9.50 Applied Statistics & Probability

  9.50.1564 Convex Body

6 Social Sciences

 6.256 Religion

  6.256.2361 Religious Education

 6.3 Management

  6.3.2 Knowledge Management

  6.3.1731 Computer-supported Cooperative Work

  6.3.2135 Sharing Economy

 6.238 Bibliometrics, Scientometrics & Research Integrity

  6.238.166 Bibliometrics

  6.238.1790 Plagiarism

 6.185 Communication

  6.185.1644 Privacy

 6.73 Social Psychology

  6.73.2034 Conditional Reasoning

  6.73.2331 Health Locus of Control

 6.146 Anthropology

  6.146.1728 Artisanal Mining

7 Engineering & Materials Science

 7.12 Metallurgical Engineering

  7.12.2236 High-Entropy Alloys

  7.12.2224 Ductile Iron

 7.272 Electrical—Solder & Connections

  7.272.2124 Thermal Resistance

 7.262 Explosives

  7.262.2024 TNT

  7.262.745 Energetic Materials

 7.121 Concrete Science

  7.121.26 Compressive Strength

 7.70 Thermodynamics

  7.70.1880 Falling Film

 7.192 Testing & Maintenance

  7.192.732 Polynomial Chaos

 7.251 Electrical—Harvesting & Discharging

  7.251.1204 Energy Harvesting

8 Earth Sciences

 8.8 Geochemistry, Geophysics & Geology

  8.8.2206 Compositional Data

10 Arts & Humanities

 10.126 Philosophy

  10.126.1568 Philosophy of Science