Search Results - "computational chemistry"
Suggested Topics within your search.
Suggested Topics within your search.
- Algorithms 1
- Big Data 1
- Big data 1
- Bioinformatics 1
- Cheminformatics 1
- Chemistry, Pharmaceutical 1
- Chemistry, Physical and theoretical 1
- Combinatorial Chemistry Techniques 1
- Computational Biology 1
- Computer-Aided Design 1
- Data processing 1
- Drug Discovery 1
- Drug Toxicity 1
- Drug development 1
- Informatics 1
- Ligands 1
- Ligands (Biochemistry) 1
- Molecular Dynamics Simulation 1
- methods 1
- trends 1
-
1
Pragmatic virtual fragment-based ligand design
Published 2011Table of Contents: “…Contents: Computational chemistry for fragment replacement, fragment evolution/growing/merging & linking -- Bioisostere replacement -- Software assistance for SAR optimisation for medicinal chemists -- Lead optimisation software.…”
Get full text
Series
Electronic Video -
2
AI and big data in drug discovery
Published 2019Table of Contents: “…Contents: Target discovery from patient data, AI and bioinformatics -- Lead discovery from target data, AI and computational chemistry -- Predicting toxicity and Pk using AI -- Choosing the right algorithms for your question.…”
Get full text
Series
Electronic Video
