--- a +++ b/Code/Drug Discovery/LMM/README.md @@ -0,0 +1,31 @@ + + +### Total Synthesis Guidance for Chemists + +#### Introduction: <br> +Total synthesis refers to the process of constructing a complex organic molecule often +with biological activity from simpler, commercially available or naturally occurring starting +materials in the fewest steps possible and high yield. Here, two recent synthetic chemistry +papers published in JACS and Nature Communications were analyzed with Large Multimodal +Models (LMMs) so that a chemist can more easily reproduce or make the desired +compound(s) more pure, faster, or less expensive in their own lab. + +#### Procedure: <br> +Each paper was read manually along with corresponding supplementary and peer +review documents. Prompts with keys were created for LMMs that asked specific information +beyond what was provided by authors to potentially increase the yield of pure products in +addition to locating exactly where the information was found that supported its conclusion. +The LMM or Fine-tuned models were tested on three prompts per paper and included +ChatGPT 4o, Organic Chem Scholar, Chemistry Chem, Scholar GPT, and Scholar AI. +Llama 3.1 405B and Nemotron 4 340B large language models were also used to +generate responses on how to make the total synthesis supplementary methods faster or +less expensive than used in original papers, and were judged by a Cohere for AI model. + +August 01, 2024 + +[](https://doi.org/10.5281/zenodo.14968133) + +--- + +## New AI Drug Discovery [](https://doi.org/10.5281/zenodo.13273141) +LLM Drug Discovery Applications