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Carl Djerassi helped build DENDRAL, a pioneering AI

In 1965 Carl Djerassi, Joshua Lederberg and Edward Feigenbaum devised DENDRAL at Stanford, one of the first uses of artificial intelligence in biomedical research.

Carl Djerassi
Carl Djerassi · 1923–2015
Person
Carl Djerassi
Lived
1923–2015
Field
Chemistry
From
Austrian-American

The story

By the 1960s Carl Djerassi, who had helped create the contraceptive pill at Syntex in Mexico City, was a professor of chemistry at Stanford University and a world authority on working out the structures of complex molecules such as steroids and alkaloids. Identifying an unknown compound was slow, expert work that depended on interpreting data from instruments such as mass spectrometers, a field in which Djerassi was a pioneer.

At the same time the Nobel laureate geneticist Joshua Lederberg was helping design instruments for NASA's Viking lander to search the Martian soil for the building blocks of life, using a mass spectrometer linked to a small computer. He wanted a program that could reason about what such data meant. Beginning in the mid-1960s, Lederberg, the computer scientist Edward Feigenbaum, Bruce Buchanan and Djerassi, with a team of research associates and students, built DENDRAL, short for dendritic algorithm. Written in the Lisp programming language, it was designed to deduce the molecular structure of unknown organic compounds from their mass spectra and a body of chemical knowledge.

Early versions struggled with some classes of compounds, so Djerassi taught the program general rules of mass spectrometry and chemistry that let it discard chemically implausible structures, and he extended it to use data from nuclear magnetic resonance. A companion program, Meta-DENDRAL, tried to learn new rules from examples. By 1970 DENDRAL was interpreting structures at the level of a postdoctoral chemist, and Djerassi's group used it in their own research for a decade.

DENDRAL is considered the first expert system, a program that captures the knowledge of human specialists, and one of the first uses of artificial intelligence in biomedical research. Many later systems were derived from it, including MYCIN, MOLGEN, PROSPECTOR and XCON. Its approach, combining a large knowledge base with rules of thumb to narrow a vast number of possibilities, shaped decades of research in the field.

Djerassi's chemical expertise supplied much of the knowledge the program encoded. Today software that suggests structures from mass spectra is routine in chemistry laboratories.

Why it matters

DENDRAL helped launch the expert-system approach that shaped decades of artificial-intelligence research in medicine, chemistry and beyond.

About Carl Djerassi

Refugee from Nazi Vienna whose Syntex team in Mexico City first made norethindrone, a key oral contraceptive; later a novelist and playwright.

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Carl Djerassi
1923–2015 · Chemistry
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Another act of tikkun olam. This is part of tikkun olam, the Jewish idea of repairing the world, and every one of us can add to it.

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