Clinical oncology and chemical thermodynamics.
The development of oncolytic agents for cancer chemotherapy is often based on chance discovery and intensive structure modification. A mechanistic understanding of the essential biochemistry of many anticancer drugs remains elusive because of the biological complexity of drug-drug and drug-target interactions. The potential of computational science to analyze and quantify these interactions may provide a rational basis for drug modification and clinical trial design.
Lilly Research Laboratories, Eli Lilly and Co., Lilly Corporate Center, Indianapolis, Indiana 46285.
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D000970:Antineoplastic Agents; D015195:Drug Design; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D000970:Antineoplastic Agents